5-chloro-4-(1H-indol-3-yl)pyrimidin-2-amine;cyclohexane;4-[[fluoro(methyl)amino]methyl]aniline

C26H32ClFN6 — CID 145063522

IUPAC5-chloro-4-(1H-indol-3-yl)pyrimidin-2-amine;cyclohexane;4-[[fluoro(methyl)amino]methyl]aniline
SMILESC1CCCCC1.CN(F)Cc1ccc(N)cc1.Nc1ncc(Cl)c(-c2c[nH]c3ccccc23)n1
InChIInChI=1S/C12H9ClN4.C8H11FN2.C6H12/c13-9-6-16-12(14)17-11(9)8-5-15-10-4-2-1-3-7(8)10;1-11(9)6-7-2-4-8(10)5-3-7;1-2-4-6-5-3-1/h1-6,15H,(H2,14,16,17);2-5H,6,10H2,1H3;1-6H2
InChIKeyVVQDFGMUVHMXOA-UHFFFAOYSA-N
MW483.04 g/mol
LogP6.79
Rot. Bonds3

About 5-chloro-4-(1H-indol-3-yl)pyrimidin-2-amine;cyclohexane;4-[[fluoro(methyl)amino]methyl]aniline

5-chloro-4-(1H-indol-3-yl)pyrimidin-2-amine;cyclohexane;4-[[fluoro(methyl)amino]methyl]aniline (PubChem CID 145063522) has the molecular formula C26H32ClFN6 and a molecular weight of 483.04 g/mol. Its IUPAC name is 5-chloro-4-(1H-indol-3-yl)pyrimidin-2-amine;cyclohexane;4-[[fluoro(methyl)amino]methyl]aniline.

Molecular Properties

Compound Name5-chloro-4-(1H-indol-3-yl)pyrimidin-2-amine;cyclohexane;4-[[fluoro(methyl)amino]methyl]aniline
PubChem CID145063522
Molecular FormulaC26H32ClFN6
Molecular Weight483.04 g/mol
Exact Mass482.24
IUPAC Name5-chloro-4-(1H-indol-3-yl)pyrimidin-2-amine;cyclohexane;4-[[fluoro(methyl)amino]methyl]aniline
SMILESC1CCCCC1.CN(F)Cc1ccc(N)cc1.Nc1ncc(Cl)c(-c2c[nH]c3ccccc23)n1
InChIInChI=1S/C12H9ClN4.C8H11FN2.C6H12/c13-9-6-16-12(14)17-11(9)8-5-15-10-4-2-1-3-7(8)10;1-11(9)6-7-2-4-8(10)5-3-7;1-2-4-6-5-3-1/h1-6,15H,(H2,14,16,17);2-5H,6,10H2,1H3;1-6H2
InChIKeyVVQDFGMUVHMXOA-UHFFFAOYSA-N
XLogP6.79
TPSA96.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.04
LogP ≤ 56.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze 5-chloro-4-(1H-indol-3-yl)pyrimidin-2-amine;cyclohexane;4-[[fluoro(methyl)amino]methyl]aniline 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

N-[1-[(4-aminophenyl)methyl]piperidin-4-yl]-5-chloro-4-(1H-indol-3-yl)pyrimidin-2-amine;hydrochloride
CID 118025385
tert-butyl N-[(5-methyl-2-pyridinyl)methyl]carbamate;5-chloro-4-(1H-indol-3-yl)pyrimidin-2-amine;cyclohexane
CID 144940943
5-(4-fluorophenyl)-4-(1H-indol-3-yl)pyrimidin-2-amine
CID 101432469
(5-amino-2-pyridinyl)methyl-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]carbamic acid
CID 129278948
4-amino-N-[5-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-3,3-difluorocyclohexyl]benzamide;ethane
CID 144832697
N-[(3S,5S)-1-benzyl-5-methylpiperidin-3-yl]-5-chloro-4-(1H-indol-3-yl)pyrimidin-2-amine
CID 175901767
cis-(1S,3R)-1-N-chloro-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]cyclohexane-1,3-diamine
CID 118426018
1-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]-4-[2-(dimethylamino)ethoxy]-6-methoxybenzene-1,3-diamine
CID 118913189
4-amino-N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]benzamide;(E)-4-bromobut-2-enoyl chloride;N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide
CID 157287767
N-[4-[[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methyl]phenyl]-4-(dimethylamino)butanamide
CID 122542070
(3R,5R)-5-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-N-methyl-N-[[4-(prop-2-enoylamino)phenyl]methyl]piperidine-3-carboxamide
CID 118024711
N-[3-(4-aminophenoxy)cyclohexyl]-4-[1-(benzenesulfonyl)indol-3-yl]-5-chloropyrimidin-2-amine;N-[3-(4-aminophenoxy)cyclohexyl]-5-chloro-4-(1H-indol-3-yl)pyrimidin-2-amine
CID 164976875

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(1H-indol-3-yl)pyrimidin-2-amine;cyclohexane;4-[[fluoro(methyl)amino]methyl]aniline?
The IUPAC name of 5-chloro-4-(1H-indol-3-yl)pyrimidin-2-amine;cyclohexane;4-[[fluoro(methyl)amino]methyl]aniline (CID 145063522) is 5-chloro-4-(1H-indol-3-yl)pyrimidin-2-amine;cyclohexane;4-[[fluoro(methyl)amino]methyl]aniline.
What is the SMILES notation for 5-chloro-4-(1H-indol-3-yl)pyrimidin-2-amine;cyclohexane;4-[[fluoro(methyl)amino]methyl]aniline?
The canonical SMILES for 5-chloro-4-(1H-indol-3-yl)pyrimidin-2-amine;cyclohexane;4-[[fluoro(methyl)amino]methyl]aniline is C1CCCCC1.CN(F)Cc1ccc(N)cc1.Nc1ncc(Cl)c(-c2c[nH]c3ccccc23)n1.
What is the InChIKey of 5-chloro-4-(1H-indol-3-yl)pyrimidin-2-amine;cyclohexane;4-[[fluoro(methyl)amino]methyl]aniline?
The InChIKey is VVQDFGMUVHMXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4.C8H11FN2.C6H12/c13-9-6-16-12(14)17-11(9)8-5-15-10-4-2-1-3-7(8)10;1-11(9)6-7-2-4-8(10)5-3-7;1-2-4-6-5-3-1/h1-6,15H,(H2,14,16,17);2-5H,6,10H2,1H3;1-6H2.
What are the key properties of 5-chloro-4-(1H-indol-3-yl)pyrimidin-2-amine;cyclohexane;4-[[fluoro(methyl)amino]methyl]aniline?
5-chloro-4-(1H-indol-3-yl)pyrimidin-2-amine;cyclohexane;4-[[fluoro(methyl)amino]methyl]aniline has a molecular weight of 483.04 g/mol, XLogP of 6.79, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(1H-indol-3-yl)pyrimidin-2-amine;cyclohexane;4-[[fluoro(methyl)amino]methyl]aniline is sourced from PubChem (CID 145063522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).