3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-(4-methylpyrimidin-2-yl)quinoline-2,6-diamine

C23H21N5 — CID 68918785

IUPAC3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-(4-methylpyrimidin-2-yl)quinoline-2,6-diamine
SMILESCc1ccnc(Nc2ccc3nc(N)c([C@@H]4CCc5ccccc54)cc3c2)n1
InChIInChI=1S/C23H21N5/c1-14-10-11-25-23(26-14)27-17-7-9-21-16(12-17)13-20(22(24)28-21)19-8-6-15-4-2-3-5-18(15)19/h2-5,7,9-13,19H,6,8H2,1H3,(H2,24,28)(H,25,26,27)/t19-/m1/s1
InChIKeyMHANUDFEKYOVLL-LJQANCHMSA-N
MW367.46 g/mol
LogP4.74
Rot. Bonds3

About 3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-(4-methylpyrimidin-2-yl)quinoline-2,6-diamine

3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-(4-methylpyrimidin-2-yl)quinoline-2,6-diamine (PubChem CID 68918785) has the molecular formula C23H21N5 and a molecular weight of 367.46 g/mol. Its IUPAC name is 3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-(4-methylpyrimidin-2-yl)quinoline-2,6-diamine.

Molecular Properties

Compound Name3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-(4-methylpyrimidin-2-yl)quinoline-2,6-diamine
PubChem CID68918785
Molecular FormulaC23H21N5
Molecular Weight367.46 g/mol
Exact Mass367.18
IUPAC Name3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-(4-methylpyrimidin-2-yl)quinoline-2,6-diamine
SMILESCc1ccnc(Nc2ccc3nc(N)c([C@@H]4CCc5ccccc54)cc3c2)n1
InChIInChI=1S/C23H21N5/c1-14-10-11-25-23(26-14)27-17-7-9-21-16(12-17)13-20(22(24)28-21)19-8-6-15-4-2-3-5-18(15)19/h2-5,7,9-13,19H,6,8H2,1H3,(H2,24,28)(H,25,26,27)/t19-/m1/s1
InChIKeyMHANUDFEKYOVLL-LJQANCHMSA-N
XLogP4.74
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-(4-methylpyrimidin-2-yl)quinoline-2,6-diamine with MolForge

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Related Compounds

3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-(5-methyl-1,2-oxazol-3-yl)quinoline-2,6-diamine
CID 68914930
3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-[6-(trifluoromethyl)-2-pyridinyl]quinoline-2,6-diamine
CID 68914516
3-(2,3-dihydro-1H-inden-1-yl)-6-[2-(methylamino)ethyl]quinolin-2-amine
CID 68640200
2-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrimidin-4-amine
CID 140627468
4-methyl-N-(3-methylphenyl)pyrimidin-2-amine
CID 12817737
4-methyl-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)pyrimidin-2-amine
CID 133309901
(1R,2R)-2-N-(4-methylpyrimidin-2-yl)-2,3-dihydro-1H-indene-1,2-diamine
CID 138027257
2,4-bis(2,3-dihydro-1H-inden-1-yl)-6-methylbenzene-1,3-diamine
CID 14401683
2-N-(7-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)pyrimidine-2,4-diamine
CID 175860154
5-(1-cyclopentylpiperidin-4-yl)-2-N-(2-methyl-4-pyridinyl)pyrimidine-2,4-diamine
CID 165178069
N-(2-methoxy-4-pyridinyl)-4-methylpyrimidin-2-amine
CID 66596222
1-[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-4-yl]-N-methylmethanamine
CID 65403490

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-(4-methylpyrimidin-2-yl)quinoline-2,6-diamine?
The IUPAC name of 3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-(4-methylpyrimidin-2-yl)quinoline-2,6-diamine (CID 68918785) is 3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-(4-methylpyrimidin-2-yl)quinoline-2,6-diamine.
What is the SMILES notation for 3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-(4-methylpyrimidin-2-yl)quinoline-2,6-diamine?
The canonical SMILES for 3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-(4-methylpyrimidin-2-yl)quinoline-2,6-diamine is Cc1ccnc(Nc2ccc3nc(N)c([C@@H]4CCc5ccccc54)cc3c2)n1.
What is the InChIKey of 3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-(4-methylpyrimidin-2-yl)quinoline-2,6-diamine?
The InChIKey is MHANUDFEKYOVLL-LJQANCHMSA-N. The full InChI is InChI=1S/C23H21N5/c1-14-10-11-25-23(26-14)27-17-7-9-21-16(12-17)13-20(22(24)28-21)19-8-6-15-4-2-3-5-18(15)19/h2-5,7,9-13,19H,6,8H2,1H3,(H2,24,28)(H,25,26,27)/t19-/m1/s1.
What are the key properties of 3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-(4-methylpyrimidin-2-yl)quinoline-2,6-diamine?
3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-(4-methylpyrimidin-2-yl)quinoline-2,6-diamine has a molecular weight of 367.46 g/mol, XLogP of 4.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-(4-methylpyrimidin-2-yl)quinoline-2,6-diamine is sourced from PubChem (CID 68918785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).