1-N-(6-bromo-9H-indeno[2,1-d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;1-N-[6-(5-fluoro-3-pyridinyl)-9H-indeno[2,1-d]pyrimidin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine

C43H49BrFN9 — CID 163573924

IUPAC1-N-(6-bromo-9H-indeno[2,1-d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;1-N-[6-(5-fluoro-3-pyridinyl)-9H-indeno[2,1-d]pyrimidin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESCN(C)C1CCC(Nc2ncnc3c2-c2cc(-c4cncc(F)c4)ccc2C3)CC1.CN(C)C1CCC(Nc2ncnc3c2-c2cc(Br)ccc2C3)CC1
InChIInChI=1S/C24H26FN5.C19H23BrN4/c1-30(2)20-7-5-19(6-8-20)29-24-23-21-10-15(17-9-18(25)13-26-12-17)3-4-16(21)11-22(23)27-14-28-24;1-24(2)15-7-5-14(6-8-15)23-19-18-16-10-13(20)4-3-12(16)9-17(18)21-11-22-19/h3-4,9-10,12-14,19-20H,5-8,11H2,1-2H3,(H,27,28,29);3-4,10-11,14-15H,5-9H2,1-2H3,(H,21,22,23)
InChIKeyGBTZGLDKASRSKE-UHFFFAOYSA-N
MW790.83 g/mol
LogP8.63
Rot. Bonds7

About 1-N-(6-bromo-9H-indeno[2,1-d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;1-N-[6-(5-fluoro-3-pyridinyl)-9H-indeno[2,1-d]pyrimidin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine

1-N-(6-bromo-9H-indeno[2,1-d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;1-N-[6-(5-fluoro-3-pyridinyl)-9H-indeno[2,1-d]pyrimidin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine (PubChem CID 163573924) has the molecular formula C43H49BrFN9 and a molecular weight of 790.83 g/mol. Its IUPAC name is 1-N-(6-bromo-9H-indeno[2,1-d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;1-N-[6-(5-fluoro-3-pyridinyl)-9H-indeno[2,1-d]pyrimidin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N-(6-bromo-9H-indeno[2,1-d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;1-N-[6-(5-fluoro-3-pyridinyl)-9H-indeno[2,1-d]pyrimidin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine
PubChem CID163573924
Molecular FormulaC43H49BrFN9
Molecular Weight790.83 g/mol
Exact Mass789.33
IUPAC Name1-N-(6-bromo-9H-indeno[2,1-d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;1-N-[6-(5-fluoro-3-pyridinyl)-9H-indeno[2,1-d]pyrimidin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESCN(C)C1CCC(Nc2ncnc3c2-c2cc(-c4cncc(F)c4)ccc2C3)CC1.CN(C)C1CCC(Nc2ncnc3c2-c2cc(Br)ccc2C3)CC1
InChIInChI=1S/C24H26FN5.C19H23BrN4/c1-30(2)20-7-5-19(6-8-20)29-24-23-21-10-15(17-9-18(25)13-26-12-17)3-4-16(21)11-22(23)27-14-28-24;1-24(2)15-7-5-14(6-8-15)23-19-18-16-10-13(20)4-3-12(16)9-17(18)21-11-22-19/h3-4,9-10,12-14,19-20H,5-8,11H2,1-2H3,(H,27,28,29);3-4,10-11,14-15H,5-9H2,1-2H3,(H,21,22,23)
InChIKeyGBTZGLDKASRSKE-UHFFFAOYSA-N
XLogP8.63
TPSA94.99 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.83
LogP ≤ 58.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-N-(6-bromo-9H-indeno[2,1-d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;1-N-[6-(5-fluoro-3-pyridinyl)-9H-indeno[2,1-d]pyrimidin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N,4-N-dimethyl-1-N-[6-(1-methylpyrazol-4-yl)-9H-indeno[2,1-d]pyrimidin-4-yl]cyclohexane-1,4-diamine
CID 163640585
4-N,4-N-dimethyl-1-N-[6-(5-methylsulfonyl-3-pyridinyl)quinazolin-4-yl]cyclohexane-1,4-diamine
CID 130446877
5-[4-[[4-(dimethylamino)cyclohexyl]amino]quinazolin-6-yl]pyridine-3-carboxylic acid
CID 130446833
1-N-[6-[5-(2-methoxyethoxy)-3-pyridinyl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine
CID 121254771
4-N,4-N-dimethyl-1-N-[6-[4-(trifluoromethyl)-3-pyridinyl]quinazolin-4-yl]cyclohexane-1,4-diamine
CID 130446919
6-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-N-(4-morpholin-4-ylcyclohexyl)-9H-indeno[2,1-d]pyrimidin-4-amine
CID 163790909
6-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(4-morpholin-4-ylcyclohexyl)-9H-indeno[2,1-d]pyrimidin-4-amine
CID 163594104
1-N-[6-(1-amino-3-iminoprop-1-enyl)quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine
CID 147652172
1-N-[6-[2,6-difluoro-3-[(5-fluoro-3-pyridinyl)sulfanylamino]phenyl]quinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine
CID 169156239
N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-6-fluoroquinazolin-4-amine
CID 171358732
1-N-([1]benzothiolo[2,3-d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine
CID 73053607
12-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylcyclohexyl)-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-3-amine
CID 163645764

Frequently Asked Questions

What is the IUPAC name of 1-N-(6-bromo-9H-indeno[2,1-d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;1-N-[6-(5-fluoro-3-pyridinyl)-9H-indeno[2,1-d]pyrimidin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine?
The IUPAC name of 1-N-(6-bromo-9H-indeno[2,1-d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;1-N-[6-(5-fluoro-3-pyridinyl)-9H-indeno[2,1-d]pyrimidin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine (CID 163573924) is 1-N-(6-bromo-9H-indeno[2,1-d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;1-N-[6-(5-fluoro-3-pyridinyl)-9H-indeno[2,1-d]pyrimidin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine.
What is the SMILES notation for 1-N-(6-bromo-9H-indeno[2,1-d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;1-N-[6-(5-fluoro-3-pyridinyl)-9H-indeno[2,1-d]pyrimidin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine?
The canonical SMILES for 1-N-(6-bromo-9H-indeno[2,1-d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;1-N-[6-(5-fluoro-3-pyridinyl)-9H-indeno[2,1-d]pyrimidin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine is CN(C)C1CCC(Nc2ncnc3c2-c2cc(-c4cncc(F)c4)ccc2C3)CC1.CN(C)C1CCC(Nc2ncnc3c2-c2cc(Br)ccc2C3)CC1.
What is the InChIKey of 1-N-(6-bromo-9H-indeno[2,1-d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;1-N-[6-(5-fluoro-3-pyridinyl)-9H-indeno[2,1-d]pyrimidin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine?
The InChIKey is GBTZGLDKASRSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5.C19H23BrN4/c1-30(2)20-7-5-19(6-8-20)29-24-23-21-10-15(17-9-18(25)13-26-12-17)3-4-16(21)11-22(23)27-14-28-24;1-24(2)15-7-5-14(6-8-15)23-19-18-16-10-13(20)4-3-12(16)9-17(18)21-11-22-19/h3-4,9-10,12-14,19-20H,5-8,11H2,1-2H3,(H,27,28,29);3-4,10-11,14-15H,5-9H2,1-2H3,(H,21,22,23).
What are the key properties of 1-N-(6-bromo-9H-indeno[2,1-d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;1-N-[6-(5-fluoro-3-pyridinyl)-9H-indeno[2,1-d]pyrimidin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine?
1-N-(6-bromo-9H-indeno[2,1-d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;1-N-[6-(5-fluoro-3-pyridinyl)-9H-indeno[2,1-d]pyrimidin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine has a molecular weight of 790.83 g/mol, XLogP of 8.63, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-bromo-9H-indeno[2,1-d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;1-N-[6-(5-fluoro-3-pyridinyl)-9H-indeno[2,1-d]pyrimidin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine is sourced from PubChem (CID 163573924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).