2-N-(3-methoxyphenyl)-5-[1-(oxan-4-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine

C22H31N5O2 — CID 167266695

IUPAC2-N-(3-methoxyphenyl)-5-[1-(oxan-4-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine
SMILESCOc1cccc(Nc2ncc(C3CCN(CC4CCOCC4)CC3)c(N)n2)c1
InChIInChI=1S/C22H31N5O2/c1-28-19-4-2-3-18(13-19)25-22-24-14-20(21(23)26-22)17-5-9-27(10-6-17)15-16-7-11-29-12-8-16/h2-4,13-14,16-17H,5-12,15H2,1H3,(H3,23,24,25,26)
InChIKeyMZGLQTXTYZQRPV-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.42
Rot. Bonds6

About 2-N-(3-methoxyphenyl)-5-[1-(oxan-4-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine

2-N-(3-methoxyphenyl)-5-[1-(oxan-4-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine (PubChem CID 167266695) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-N-(3-methoxyphenyl)-5-[1-(oxan-4-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-methoxyphenyl)-5-[1-(oxan-4-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine
PubChem CID167266695
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC Name2-N-(3-methoxyphenyl)-5-[1-(oxan-4-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine
SMILESCOc1cccc(Nc2ncc(C3CCN(CC4CCOCC4)CC3)c(N)n2)c1
InChIInChI=1S/C22H31N5O2/c1-28-19-4-2-3-18(13-19)25-22-24-14-20(21(23)26-22)17-5-9-27(10-6-17)15-16-7-11-29-12-8-16/h2-4,13-14,16-17H,5-12,15H2,1H3,(H3,23,24,25,26)
InChIKeyMZGLQTXTYZQRPV-UHFFFAOYSA-N
XLogP3.42
TPSA85.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-(3-methoxyphenyl)-5-[1-(oxan-4-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[1-(cyclohexylmethyl)piperidin-4-yl]-2-N-(2-methoxy-4-pyridinyl)pyrimidine-2,4-diamine
CID 167267173
5-[1-(cyclopentylmethyl)piperidin-4-yl]-2-N-[2-(1,1-difluoroethyl)-4-pyridinyl]pyrimidine-2,4-diamine
CID 167267179
4-[[4-amino-5-[1-(cyclopentylmethyl)piperidin-4-yl]pyrimidin-2-yl]amino]pyridine-2-carboxamide
CID 167266688
4-(5-chloro-2-methoxyphenyl)-1-(oxan-4-ylmethyl)piperidine
CID 58771940
5-cyclopropyl-2-N-(3-methylsulfanylphenyl)pyrimidine-2,4-diamine
CID 67156362
2-N-(2-chloro-4-pyridinyl)-5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrimidine-2,4-diamine
CID 167266686
6-(3-methoxyanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 44569924
2-N,4-N-bis(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;dihydrochloride
CID 45136690
4-[[2-(3-bromoanilino)-5-[1-(cyclopentylmethyl)piperidin-4-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 166510464
N-(3-methoxyphenyl)-3-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propanamide
CID 136529358
5-(1-cyclopentylpiperidin-4-yl)-2-N-(2-methyl-4-pyridinyl)pyrimidine-2,4-diamine
CID 165178069
3-[[5-cyclopropyl-2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]amino]propanamide
CID 68622843

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methoxyphenyl)-5-[1-(oxan-4-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3-methoxyphenyl)-5-[1-(oxan-4-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine (CID 167266695) is 2-N-(3-methoxyphenyl)-5-[1-(oxan-4-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3-methoxyphenyl)-5-[1-(oxan-4-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3-methoxyphenyl)-5-[1-(oxan-4-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine is COc1cccc(Nc2ncc(C3CCN(CC4CCOCC4)CC3)c(N)n2)c1.
What is the InChIKey of 2-N-(3-methoxyphenyl)-5-[1-(oxan-4-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine?
The InChIKey is MZGLQTXTYZQRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-28-19-4-2-3-18(13-19)25-22-24-14-20(21(23)26-22)17-5-9-27(10-6-17)15-16-7-11-29-12-8-16/h2-4,13-14,16-17H,5-12,15H2,1H3,(H3,23,24,25,26).
What are the key properties of 2-N-(3-methoxyphenyl)-5-[1-(oxan-4-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine?
2-N-(3-methoxyphenyl)-5-[1-(oxan-4-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine has a molecular weight of 397.52 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methoxyphenyl)-5-[1-(oxan-4-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 167266695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).