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

C23H30N6O — CID 176671359

IUPAC2-N-[1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCOCc1ccc(CN2CCC(Nc3nc(N)c4c(C)cc(C)nc4n3)CC2)cc1
InChIInChI=1S/C23H30N6O/c1-15-12-16(2)25-22-20(15)21(24)27-23(28-22)26-19-8-10-29(11-9-19)13-17-4-6-18(7-5-17)14-30-3/h4-7,12,19H,8-11,13-14H2,1-3H3,(H3,24,25,26,27,28)
InChIKeyCRZSEODAQUCQTL-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.45
Rot. Bonds6

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

2-N-[1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 176671359) has the molecular formula C23H30N6O and a molecular weight of 406.53 g/mol. Its IUPAC name is 2-N-[1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID176671359
Molecular FormulaC23H30N6O
Molecular Weight406.53 g/mol
Exact Mass406.25
IUPAC Name2-N-[1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCOCc1ccc(CN2CCC(Nc3nc(N)c4c(C)cc(C)nc4n3)CC2)cc1
InChIInChI=1S/C23H30N6O/c1-15-12-16(2)25-22-20(15)21(24)27-23(28-22)26-19-8-10-29(11-9-19)13-17-4-6-18(7-5-17)14-30-3/h4-7,12,19H,8-11,13-14H2,1-3H3,(H3,24,25,26,27,28)
InChIKeyCRZSEODAQUCQTL-UHFFFAOYSA-N
XLogP3.45
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-[1-[[4-(methoxymethyl)phenyl]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-[[3-(methoxymethyl)phenyl]methyl]piperidin-4-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 176670711
2-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 176671273
[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
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-(azetidin-3-yl)-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 176671441
2-N,4-N-bis(1-benzylpiperidin-4-yl)-6-methylpyrimidine-2,4-diamine
CID 117084915
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
2-N-(1-ethylpyrrolidin-3-yl)-4-N,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 176671186

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine (CID 176671359) is 2-N-[1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine is COCc1ccc(CN2CCC(Nc3nc(N)c4c(C)cc(C)nc4n3)CC2)cc1.
What is the InChIKey of 2-N-[1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is CRZSEODAQUCQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O/c1-15-12-16(2)25-22-20(15)21(24)27-23(28-22)26-19-8-10-29(11-9-19)13-17-4-6-18(7-5-17)14-30-3/h4-7,12,19H,8-11,13-14H2,1-3H3,(H3,24,25,26,27,28).
What are the key properties of 2-N-[1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine?
2-N-[1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 406.53 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 176671359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).