5-methyl-7-phenyl-2-N-[(3R)-pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-diamine

C18H20N6 — CID 176671440

IUPAC5-methyl-7-phenyl-2-N-[(3R)-pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCc1cc(-c2ccccc2)nc2nc(N[C@@H]3CCNC3)nc(N)c12
InChIInChI=1S/C18H20N6/c1-11-9-14(12-5-3-2-4-6-12)22-17-15(11)16(19)23-18(24-17)21-13-7-8-20-10-13/h2-6,9,13,20H,7-8,10H2,1H3,(H3,19,21,22,23,24)/t13-/m1/s1
InChIKeyKMXCDXKHJJAENE-CYBMUJFWSA-N
MW320.40 g/mol
LogP2.36
Rot. Bonds3

About 5-methyl-7-phenyl-2-N-[(3R)-pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-diamine

5-methyl-7-phenyl-2-N-[(3R)-pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 176671440) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is 5-methyl-7-phenyl-2-N-[(3R)-pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-methyl-7-phenyl-2-N-[(3R)-pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID176671440
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC Name5-methyl-7-phenyl-2-N-[(3R)-pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCc1cc(-c2ccccc2)nc2nc(N[C@@H]3CCNC3)nc(N)c12
InChIInChI=1S/C18H20N6/c1-11-9-14(12-5-3-2-4-6-12)22-17-15(11)16(19)23-18(24-17)21-13-7-8-20-10-13/h2-6,9,13,20H,7-8,10H2,1H3,(H3,19,21,22,23,24)/t13-/m1/s1
InChIKeyKMXCDXKHJJAENE-CYBMUJFWSA-N
XLogP2.36
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-methyl-7-phenyl-2-N-[(3R)-pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

2-N-(azetidin-3-yl)-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 176671441
S-[3-[4-amino-2-(piperidin-4-ylamino)pyrido[2,3-d]pyrimidin-7-yl]phenyl]thiohydroxylamine
CID 176670683
4-methyl-2-phenylbenzo[b][1,8]naphthyridin-5-amine
CID 151397277
N-(2-methylphenyl)pyrrolidin-3-amine
CID 79725314
6-(4-methoxyphenyl)-2-methyl-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 82191981
[4-[[4-[(4-amino-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl)amino]piperidin-1-yl]methyl]phenyl]methanol
CID 176671009
3,4-dimethyl-6-phenylpyrazolo[3,4-b]pyridin-2-amine
CID 70626416
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidin-3-amine
CID 79731313
2-ethyl-6-phenyl-N-piperidin-4-ylpyrimidin-4-amine
CID 56767062
2-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 176671273
2-N-[1-[[3-(methoxymethyl)phenyl]methyl]piperidin-4-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 176670711
5,7-dimethyl-2-N-[1-(1H-1,2,4-triazol-5-ylmethyl)piperidin-4-yl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 176671106

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-phenyl-2-N-[(3R)-pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 5-methyl-7-phenyl-2-N-[(3R)-pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-diamine (CID 176671440) is 5-methyl-7-phenyl-2-N-[(3R)-pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-methyl-7-phenyl-2-N-[(3R)-pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 5-methyl-7-phenyl-2-N-[(3R)-pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-diamine is Cc1cc(-c2ccccc2)nc2nc(N[C@@H]3CCNC3)nc(N)c12.
What is the InChIKey of 5-methyl-7-phenyl-2-N-[(3R)-pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is KMXCDXKHJJAENE-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20N6/c1-11-9-14(12-5-3-2-4-6-12)22-17-15(11)16(19)23-18(24-17)21-13-7-8-20-10-13/h2-6,9,13,20H,7-8,10H2,1H3,(H3,19,21,22,23,24)/t13-/m1/s1.
What are the key properties of 5-methyl-7-phenyl-2-N-[(3R)-pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-diamine?
5-methyl-7-phenyl-2-N-[(3R)-pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 320.40 g/mol, XLogP of 2.36, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-phenyl-2-N-[(3R)-pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 176671440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).