4-N-benzyl-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine

C19H20N4O — CID 112889503

IUPAC4-N-benzyl-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(C)cc1Nc1nccc(NCc2ccccc2)n1
InChIInChI=1S/C19H20N4O/c1-14-8-9-17(24-2)16(12-14)22-19-20-11-10-18(23-19)21-13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H2,20,21,22,23)
InChIKeyPUEOIYYWBFYRMC-UHFFFAOYSA-N
MW320.40 g/mol
LogP4.15
Rot. Bonds6

About 4-N-benzyl-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine

4-N-benzyl-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 112889503) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 4-N-benzyl-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine
PubChem CID112889503
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name4-N-benzyl-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(C)cc1Nc1nccc(NCc2ccccc2)n1
InChIInChI=1S/C19H20N4O/c1-14-8-9-17(24-2)16(12-14)22-19-20-11-10-18(23-19)21-13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H2,20,21,22,23)
InChIKeyPUEOIYYWBFYRMC-UHFFFAOYSA-N
XLogP4.15
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[2-(3-chlorophenyl)ethyl]-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine
CID 112901406
2-N-(2,4-dimethoxyphenyl)-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890347
2-N-(2,4-dimethylphenyl)-4-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892431
2-N-(2,5-dimethoxyphenyl)-4-N-[(4-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891459
2-N-benzyl-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112889572
2-N-(2,5-dimethoxyphenyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112893230
4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112897214
4-N-(2-methoxy-5-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112905023
3-N-(2-methoxy-5-methylphenyl)-5-N-[(3-methylphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112948307
4-N-[(4-methylphenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine
CID 112890302
4-N-benzyl-2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112889425
4-N-(2-methoxy-5-methylphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895305

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-benzyl-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine (CID 112889503) is 4-N-benzyl-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine is COc1ccc(C)cc1Nc1nccc(NCc2ccccc2)n1.
What is the InChIKey of 4-N-benzyl-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is PUEOIYYWBFYRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-14-8-9-17(24-2)16(12-14)22-19-20-11-10-18(23-19)21-13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 4-N-benzyl-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine?
4-N-benzyl-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine has a molecular weight of 320.40 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112889503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).