7-(2-methoxyphenyl)-2-N-(1-methylpiperidin-4-yl)pyrido[2,3-d]pyrimidine-2,4-diamine

C20H24N6O — CID 176670682

IUPAC7-(2-methoxyphenyl)-2-N-(1-methylpiperidin-4-yl)pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCOc1ccccc1-c1ccc2c(N)nc(NC3CCN(C)CC3)nc2n1
InChIInChI=1S/C20H24N6O/c1-26-11-9-13(10-12-26)22-20-24-18(21)15-7-8-16(23-19(15)25-20)14-5-3-4-6-17(14)27-2/h3-8,13H,9-12H2,1-2H3,(H3,21,22,23,24,25)
InChIKeyHRQJKDKBSNOMAC-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.79
Rot. Bonds4

About 7-(2-methoxyphenyl)-2-N-(1-methylpiperidin-4-yl)pyrido[2,3-d]pyrimidine-2,4-diamine

7-(2-methoxyphenyl)-2-N-(1-methylpiperidin-4-yl)pyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 176670682) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 7-(2-methoxyphenyl)-2-N-(1-methylpiperidin-4-yl)pyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name7-(2-methoxyphenyl)-2-N-(1-methylpiperidin-4-yl)pyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID176670682
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name7-(2-methoxyphenyl)-2-N-(1-methylpiperidin-4-yl)pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCOc1ccccc1-c1ccc2c(N)nc(NC3CCN(C)CC3)nc2n1
InChIInChI=1S/C20H24N6O/c1-26-11-9-13(10-12-26)22-20-24-18(21)15-7-8-16(23-19(15)25-20)14-5-3-4-6-17(14)27-2/h3-8,13H,9-12H2,1-2H3,(H3,21,22,23,24,25)
InChIKeyHRQJKDKBSNOMAC-UHFFFAOYSA-N
XLogP2.79
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-(1-methylpiperidin-4-yl)-7-pyrimidin-5-ylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 176671518
2-N-(1-methylpiperidin-4-yl)-7-pyridazin-4-ylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 176671055
3-[4-amino-2-[(1-methylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-yl]benzoic acid
CID 176671150
2-[4-amino-2-[(1-methylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-yl]benzoic acid;3-[4-amino-2-[(1-methylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylbenzamide
CID 176671331
1-[4-amino-7-[3-[4-amino-2-[(1-methylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-yl]cyclopentyl]-2-[(1-methylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-5-yl]ethanone
CID 176670973
N-cyclopentyl-4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 4603788
4-[(2-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-6-(trichloromethyl)-1,3,5-triazin-2-amine
CID 118250600
6,7-dimethoxy-2-N-[1-(3-methoxyphenyl)piperidin-4-yl]quinazoline-2,4-diamine
CID 166201680
N-[2-(2-methoxyphenyl)ethyl]-1-methylpiperidin-4-amine
CID 113218952
N-cyclopentyl-4-(2-methoxyphenyl)-1,3-thiazol-2-amine
CID 8961735
N-[1-(2-methoxyphenyl)ethyl]-1-methylpiperidin-4-amine
CID 43180903
5-methoxy-N-(1-methylpiperidin-4-yl)isoquinolin-1-amine
CID 106537508

Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyphenyl)-2-N-(1-methylpiperidin-4-yl)pyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 7-(2-methoxyphenyl)-2-N-(1-methylpiperidin-4-yl)pyrido[2,3-d]pyrimidine-2,4-diamine (CID 176670682) is 7-(2-methoxyphenyl)-2-N-(1-methylpiperidin-4-yl)pyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 7-(2-methoxyphenyl)-2-N-(1-methylpiperidin-4-yl)pyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 7-(2-methoxyphenyl)-2-N-(1-methylpiperidin-4-yl)pyrido[2,3-d]pyrimidine-2,4-diamine is COc1ccccc1-c1ccc2c(N)nc(NC3CCN(C)CC3)nc2n1.
What is the InChIKey of 7-(2-methoxyphenyl)-2-N-(1-methylpiperidin-4-yl)pyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is HRQJKDKBSNOMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-26-11-9-13(10-12-26)22-20-24-18(21)15-7-8-16(23-19(15)25-20)14-5-3-4-6-17(14)27-2/h3-8,13H,9-12H2,1-2H3,(H3,21,22,23,24,25).
What are the key properties of 7-(2-methoxyphenyl)-2-N-(1-methylpiperidin-4-yl)pyrido[2,3-d]pyrimidine-2,4-diamine?
7-(2-methoxyphenyl)-2-N-(1-methylpiperidin-4-yl)pyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 364.45 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyphenyl)-2-N-(1-methylpiperidin-4-yl)pyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 176670682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).