2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4,6-diamine

C21H26N6O — CID 112878930

IUPAC2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4,6-diamine
SMILESCc1nc(Nc2ccc(N3CCC(C)CC3)cc2)cc(Nc2cc(C)on2)n1
InChIInChI=1S/C21H26N6O/c1-14-8-10-27(11-9-14)18-6-4-17(5-7-18)24-19-13-20(23-16(3)22-19)25-21-12-15(2)28-26-21/h4-7,12-14H,8-11H2,1-3H3,(H2,22,23,24,25,26)
InChIKeyWZPOVLCFTAUFGD-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.80
Rot. Bonds5

About 2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4,6-diamine

2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4,6-diamine (PubChem CID 112878930) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4,6-diamine
PubChem CID112878930
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4,6-diamine
SMILESCc1nc(Nc2ccc(N3CCC(C)CC3)cc2)cc(Nc2cc(C)on2)n1
InChIInChI=1S/C21H26N6O/c1-14-8-10-27(11-9-14)18-6-4-17(5-7-18)24-19-13-20(23-16(3)22-19)25-21-12-15(2)28-26-21/h4-7,12-14H,8-11H2,1-3H3,(H2,22,23,24,25,26)
InChIKeyWZPOVLCFTAUFGD-UHFFFAOYSA-N
XLogP4.80
TPSA79.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4,6-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

2-methyl-6-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidin-4-amine
CID 112870788
6-N-(4-chlorophenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112878057
6-N-(furan-2-ylmethyl)-2-methyl-4-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4,6-diamine
CID 112871445
6-methyl-2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112931774
2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-5-carboxamide
CID 109270345
6-methyl-2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112931796
N-cyclopropyl-2-methyl-6-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide
CID 109361116
1-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[4-(4-methylpiperidin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109143974
N-[6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine
CID 112874812
2-methyl-6-[4-(4-methylpiperidin-1-yl)anilino]-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109362271
6-hydrazinyl-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine
CID 80907284
2-methyl-6-(4-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 112869239

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4,6-diamine (CID 112878930) is 2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4,6-diamine is Cc1nc(Nc2ccc(N3CCC(C)CC3)cc2)cc(Nc2cc(C)on2)n1.
What is the InChIKey of 2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4,6-diamine?
The InChIKey is WZPOVLCFTAUFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-14-8-10-27(11-9-14)18-6-4-17(5-7-18)24-19-13-20(23-16(3)22-19)25-21-12-15(2)28-26-21/h4-7,12-14H,8-11H2,1-3H3,(H2,22,23,24,25,26).
What are the key properties of 2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4,6-diamine?
2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4,6-diamine has a molecular weight of 378.48 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 112878930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).