2-N-[(1S,2R)-2-aminocyclohexyl]-8-(3-methylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine

C20H24N6 — CID 73056891

IUPAC2-N-[(1S,2R)-2-aminocyclohexyl]-8-(3-methylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine
SMILESCc1cccc(-c2cnc(N)c3cnc(N[C@H]4CCCC[C@H]4N)nc23)c1
InChIInChI=1S/C20H24N6/c1-12-5-4-6-13(9-12)14-10-23-19(22)15-11-24-20(26-18(14)15)25-17-8-3-2-7-16(17)21/h4-6,9-11,16-17H,2-3,7-8,21H2,1H3,(H2,22,23)(H,24,25,26)/t16-,17+/m1/s1
InChIKeyDYAMIFHUIZSNHM-SJORKVTESA-N
MW348.45 g/mol
LogP3.26
Rot. Bonds3

About 2-N-[(1S,2R)-2-aminocyclohexyl]-8-(3-methylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine

2-N-[(1S,2R)-2-aminocyclohexyl]-8-(3-methylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine (PubChem CID 73056891) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-N-[(1S,2R)-2-aminocyclohexyl]-8-(3-methylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine.

Molecular Properties

Compound Name2-N-[(1S,2R)-2-aminocyclohexyl]-8-(3-methylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine
PubChem CID73056891
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC Name2-N-[(1S,2R)-2-aminocyclohexyl]-8-(3-methylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine
SMILESCc1cccc(-c2cnc(N)c3cnc(N[C@H]4CCCC[C@H]4N)nc23)c1
InChIInChI=1S/C20H24N6/c1-12-5-4-6-13(9-12)14-10-23-19(22)15-11-24-20(26-18(14)15)25-17-8-3-2-7-16(17)21/h4-6,9-11,16-17H,2-3,7-8,21H2,1H3,(H2,22,23)(H,24,25,26)/t16-,17+/m1/s1
InChIKeyDYAMIFHUIZSNHM-SJORKVTESA-N
XLogP3.26
TPSA102.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-N-[(1S,2R)-2-aminocyclohexyl]-8-(3-methylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine with MolForge

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Related Compounds

CID 11247522
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CID 5496989
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CID 667555
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CID 3763388
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CID 446752
CID 446752
CID 5328375
CID 5328375
CID 5328376
CID 5328376
CID 10248318
CID 10248318
CID 25020250
CID 25020250
CID 133082038
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CID 446744
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CID 10267580
CID 10267580

Frequently Asked Questions

What is the IUPAC name of 2-N-[(1S,2R)-2-aminocyclohexyl]-8-(3-methylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine?
The IUPAC name of 2-N-[(1S,2R)-2-aminocyclohexyl]-8-(3-methylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine (CID 73056891) is 2-N-[(1S,2R)-2-aminocyclohexyl]-8-(3-methylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine.
What is the SMILES notation for 2-N-[(1S,2R)-2-aminocyclohexyl]-8-(3-methylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine?
The canonical SMILES for 2-N-[(1S,2R)-2-aminocyclohexyl]-8-(3-methylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine is Cc1cccc(-c2cnc(N)c3cnc(N[C@H]4CCCC[C@H]4N)nc23)c1.
What is the InChIKey of 2-N-[(1S,2R)-2-aminocyclohexyl]-8-(3-methylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine?
The InChIKey is DYAMIFHUIZSNHM-SJORKVTESA-N. The full InChI is InChI=1S/C20H24N6/c1-12-5-4-6-13(9-12)14-10-23-19(22)15-11-24-20(26-18(14)15)25-17-8-3-2-7-16(17)21/h4-6,9-11,16-17H,2-3,7-8,21H2,1H3,(H2,22,23)(H,24,25,26)/t16-,17+/m1/s1.
What are the key properties of 2-N-[(1S,2R)-2-aminocyclohexyl]-8-(3-methylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine?
2-N-[(1S,2R)-2-aminocyclohexyl]-8-(3-methylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine has a molecular weight of 348.45 g/mol, XLogP of 3.26, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1S,2R)-2-aminocyclohexyl]-8-(3-methylphenyl)pyrido[4,3-d]pyrimidine-2,5-diamine is sourced from PubChem (CID 73056891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).