2-N-[(6R)-6-aminocyclohexen-1-yl]-8-(1H-indol-3-yl)pyrido[4,3-d]pyrimidine-2,5-diamine

C21H21N7 — CID 144567780

IUPAC2-N-[(6R)-6-aminocyclohexen-1-yl]-8-(1H-indol-3-yl)pyrido[4,3-d]pyrimidine-2,5-diamine
SMILESNc1ncc(-c2c[nH]c3ccccc23)c2nc(NC3=CCCC[C@H]3N)ncc12
InChIInChI=1S/C21H21N7/c22-16-6-2-4-8-18(16)27-21-26-11-15-19(28-21)14(10-25-20(15)23)13-9-24-17-7-3-1-5-12(13)17/h1,3,5,7-11,16,24H,2,4,6,22H2,(H2,23,25)(H,26,27,28)/t16-/m1/s1
InChIKeyXTCLSKHKNAREMO-MRXNPFEDSA-N
MW371.45 g/mol
LogP3.56
Rot. Bonds3

About 2-N-[(6R)-6-aminocyclohexen-1-yl]-8-(1H-indol-3-yl)pyrido[4,3-d]pyrimidine-2,5-diamine

2-N-[(6R)-6-aminocyclohexen-1-yl]-8-(1H-indol-3-yl)pyrido[4,3-d]pyrimidine-2,5-diamine (PubChem CID 144567780) has the molecular formula C21H21N7 and a molecular weight of 371.45 g/mol. Its IUPAC name is 2-N-[(6R)-6-aminocyclohexen-1-yl]-8-(1H-indol-3-yl)pyrido[4,3-d]pyrimidine-2,5-diamine.

Molecular Properties

Compound Name2-N-[(6R)-6-aminocyclohexen-1-yl]-8-(1H-indol-3-yl)pyrido[4,3-d]pyrimidine-2,5-diamine
PubChem CID144567780
Molecular FormulaC21H21N7
Molecular Weight371.45 g/mol
Exact Mass371.19
IUPAC Name2-N-[(6R)-6-aminocyclohexen-1-yl]-8-(1H-indol-3-yl)pyrido[4,3-d]pyrimidine-2,5-diamine
SMILESNc1ncc(-c2c[nH]c3ccccc23)c2nc(NC3=CCCC[C@H]3N)ncc12
InChIInChI=1S/C21H21N7/c22-16-6-2-4-8-18(16)27-21-26-11-15-19(28-21)14(10-25-20(15)23)13-9-24-17-7-3-1-5-12(13)17/h1,3,5,7-11,16,24H,2,4,6,22H2,(H2,23,25)(H,26,27,28)/t16-/m1/s1
InChIKeyXTCLSKHKNAREMO-MRXNPFEDSA-N
XLogP3.56
TPSA118.53 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 53.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-cyclohexyl-8-(4-fluorophenyl)pyrido[4,3-d]pyrimidine-2,5-diamine
CID 175705974
2-ethyl-5-(1H-indol-3-yl)pyrimidin-4-amine
CID 175863340
2-N-[(1S,2R)-2-aminocyclohexyl]-8-(3-methylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine
CID 73056891
2-[5-amino-2-[(4-methoxycyclohexyl)amino]pyrido[4,3-d]pyrimidin-8-yl]benzonitrile
CID 175787681
cis-(1S,3R)-1-N-chloro-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]cyclohexane-1,3-diamine
CID 118426018
N-[4-(4-amino-1-oxo-1λ5-phosphinan-1-yl)-2-methoxyphenyl]-4-(1H-indol-3-yl)-5-methylpyrimidin-2-amine
CID 58071452
5-(4-fluorophenyl)-4-(1H-indol-3-yl)pyrimidin-2-amine
CID 101432469
2-(1H-indol-3-yl)aniline
CID 25210227
N-[4-(cyclopropylsulfonimidoyl)-2-methoxyphenyl]-4-(1H-indol-3-yl)-5-methylpyrimidin-2-amine
CID 156576308
6-(1H-indol-3-yl)-1,3,5-triazine-2,4-diamine
CID 14358165
[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]carbamic acid
CID 118417945
4-amino-5-(1H-indol-3-yl)-1H-pyrimidin-6-one
CID 135780355

Frequently Asked Questions

What is the IUPAC name of 2-N-[(6R)-6-aminocyclohexen-1-yl]-8-(1H-indol-3-yl)pyrido[4,3-d]pyrimidine-2,5-diamine?
The IUPAC name of 2-N-[(6R)-6-aminocyclohexen-1-yl]-8-(1H-indol-3-yl)pyrido[4,3-d]pyrimidine-2,5-diamine (CID 144567780) is 2-N-[(6R)-6-aminocyclohexen-1-yl]-8-(1H-indol-3-yl)pyrido[4,3-d]pyrimidine-2,5-diamine.
What is the SMILES notation for 2-N-[(6R)-6-aminocyclohexen-1-yl]-8-(1H-indol-3-yl)pyrido[4,3-d]pyrimidine-2,5-diamine?
The canonical SMILES for 2-N-[(6R)-6-aminocyclohexen-1-yl]-8-(1H-indol-3-yl)pyrido[4,3-d]pyrimidine-2,5-diamine is Nc1ncc(-c2c[nH]c3ccccc23)c2nc(NC3=CCCC[C@H]3N)ncc12.
What is the InChIKey of 2-N-[(6R)-6-aminocyclohexen-1-yl]-8-(1H-indol-3-yl)pyrido[4,3-d]pyrimidine-2,5-diamine?
The InChIKey is XTCLSKHKNAREMO-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H21N7/c22-16-6-2-4-8-18(16)27-21-26-11-15-19(28-21)14(10-25-20(15)23)13-9-24-17-7-3-1-5-12(13)17/h1,3,5,7-11,16,24H,2,4,6,22H2,(H2,23,25)(H,26,27,28)/t16-/m1/s1.
What are the key properties of 2-N-[(6R)-6-aminocyclohexen-1-yl]-8-(1H-indol-3-yl)pyrido[4,3-d]pyrimidine-2,5-diamine?
2-N-[(6R)-6-aminocyclohexen-1-yl]-8-(1H-indol-3-yl)pyrido[4,3-d]pyrimidine-2,5-diamine has a molecular weight of 371.45 g/mol, XLogP of 3.56, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(6R)-6-aminocyclohexen-1-yl]-8-(1H-indol-3-yl)pyrido[4,3-d]pyrimidine-2,5-diamine is sourced from PubChem (CID 144567780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).