2-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine

C22H28N6O — CID 176671273

IUPAC2-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCOc1ccc(CN2CCC(Nc3nc(N)c4c(C)cc(C)nc4n3)CC2)cc1
InChIInChI=1S/C22H28N6O/c1-14-12-15(2)24-21-19(14)20(23)26-22(27-21)25-17-8-10-28(11-9-17)13-16-4-6-18(29-3)7-5-16/h4-7,12,17H,8-11,13H2,1-3H3,(H3,23,24,25,26,27)
InChIKeyAHLPNFDMYUMPEP-UHFFFAOYSA-N
MW392.51 g/mol
LogP3.31
Rot. Bonds5

About 2-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine

2-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 176671273) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is 2-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID176671273
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC Name2-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCOc1ccc(CN2CCC(Nc3nc(N)c4c(C)cc(C)nc4n3)CC2)cc1
InChIInChI=1S/C22H28N6O/c1-14-12-15(2)24-21-19(14)20(23)26-22(27-21)25-17-8-10-28(11-9-17)13-16-4-6-18(29-3)7-5-16/h4-7,12,17H,8-11,13H2,1-3H3,(H3,23,24,25,26,27)
InChIKeyAHLPNFDMYUMPEP-UHFFFAOYSA-N
XLogP3.31
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

2-N-[1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 176671359
[4-[[4-[(4-amino-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl)amino]piperidin-1-yl]methyl]phenyl]methanol
CID 176671009
5,7-dimethyl-2-N-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 176670757
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-[(3-methylsulfinylphenyl)methyl]piperidin-4-yl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 176670811
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
4-[[4-[(4-amino-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl)amino]piperidin-1-yl]methyl]-3-fluorobenzonitrile
CID 176670877
4-[[4-[(4-amino-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl)amino]-3-fluoropiperidin-1-yl]methyl]benzonitrile
CID 176670902
2-N,4-N-bis(1-benzylpiperidin-4-yl)-6-methylpyrimidine-2,4-diamine
CID 117084915
4-N-(1-benzylpiperidin-4-yl)-6-N-cyclopentyl-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 134107688
2-[[4-[(13-amino-7-methyl-8,10,12-triazatricyclo[7.4.0.02,6]trideca-1,6,8,10,12-pentaen-11-yl)amino]piperidin-1-yl]methyl]phenol
CID 176670661
N-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-4,6-dimethylpyrimidin-2-amine
CID 68784815

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine (CID 176671273) is 2-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine is COc1ccc(CN2CCC(Nc3nc(N)c4c(C)cc(C)nc4n3)CC2)cc1.
What is the InChIKey of 2-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is AHLPNFDMYUMPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O/c1-14-12-15(2)24-21-19(14)20(23)26-22(27-21)25-17-8-10-28(11-9-17)13-16-4-6-18(29-3)7-5-16/h4-7,12,17H,8-11,13H2,1-3H3,(H3,23,24,25,26,27).
What are the key properties of 2-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine?
2-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 392.51 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 176671273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).