6-N-[(2-methylphenyl)methyl]-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine

C21H24N4O — CID 112858971

IUPAC6-N-[(2-methylphenyl)methyl]-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
SMILESCc1ccccc1CNc1cc(Nc2ccccc2OC(C)C)ncn1
InChIInChI=1S/C21H24N4O/c1-15(2)26-19-11-7-6-10-18(19)25-21-12-20(23-14-24-21)22-13-17-9-5-4-8-16(17)3/h4-12,14-15H,13H2,1-3H3,(H2,22,23,24,25)
InChIKeyWPOLDHKSZUAXAP-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.93
Rot. Bonds7

About 6-N-[(2-methylphenyl)methyl]-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine

6-N-[(2-methylphenyl)methyl]-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine (PubChem CID 112858971) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 6-N-[(2-methylphenyl)methyl]-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[(2-methylphenyl)methyl]-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
PubChem CID112858971
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name6-N-[(2-methylphenyl)methyl]-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
SMILESCc1ccccc1CNc1cc(Nc2ccccc2OC(C)C)ncn1
InChIInChI=1S/C21H24N4O/c1-15(2)26-19-11-7-6-10-18(19)25-21-12-20(23-14-24-21)22-13-17-9-5-4-8-16(17)3/h4-12,14-15H,13H2,1-3H3,(H2,22,23,24,25)
InChIKeyWPOLDHKSZUAXAP-UHFFFAOYSA-N
XLogP4.93
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-N-[(2-methylphenyl)methyl]-4-N-(2-propan-2-yloxyphenyl)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

6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112860414
6-N-[(2-methoxyphenyl)methyl]-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112860115
6-N-(3-methoxyphenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112866173
N-[(2-methoxyphenyl)methyl]-6-propan-2-yloxypyrimidin-4-amine
CID 66327152
4-N-(2,4-dimethoxyphenyl)-6-N-[(2-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860142
2-[[6-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]amino]benzoic acid
CID 113195006
6-N-benzyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112858817
6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112858911
4-N-[(2-fluorophenyl)methyl]-6-methyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112917284
4-N-(2,5-dimethoxyphenyl)-6-N-[(2-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860141
N-[(2-methylphenyl)methyl]-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109209998
4-N-cyclopropyl-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112854696

Frequently Asked Questions

What is the IUPAC name of 6-N-[(2-methylphenyl)methyl]-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-[(2-methylphenyl)methyl]-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine (CID 112858971) is 6-N-[(2-methylphenyl)methyl]-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[(2-methylphenyl)methyl]-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[(2-methylphenyl)methyl]-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine is Cc1ccccc1CNc1cc(Nc2ccccc2OC(C)C)ncn1.
What is the InChIKey of 6-N-[(2-methylphenyl)methyl]-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine?
The InChIKey is WPOLDHKSZUAXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-15(2)26-19-11-7-6-10-18(19)25-21-12-20(23-14-24-21)22-13-17-9-5-4-8-16(17)3/h4-12,14-15H,13H2,1-3H3,(H2,22,23,24,25).
What are the key properties of 6-N-[(2-methylphenyl)methyl]-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine?
6-N-[(2-methylphenyl)methyl]-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine has a molecular weight of 348.45 g/mol, XLogP of 4.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(2-methylphenyl)methyl]-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112858971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).