4-N-[(2-methoxy-5-methylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine

C14H18N4O — CID 115265493

IUPAC4-N-[(2-methoxy-5-methylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(NCc2cc(C)ccc2OC)ncn1
InChIInChI=1S/C14H18N4O/c1-10-4-5-12(19-3)11(6-10)8-16-14-7-13(15-2)17-9-18-14/h4-7,9H,8H2,1-3H3,(H2,15,16,17,18)
InChIKeyIEMOVNKDFGKBKJ-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.45
Rot. Bonds5

About 4-N-[(2-methoxy-5-methylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine

4-N-[(2-methoxy-5-methylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine (PubChem CID 115265493) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-N-[(2-methoxy-5-methylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(2-methoxy-5-methylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine
PubChem CID115265493
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-N-[(2-methoxy-5-methylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(NCc2cc(C)ccc2OC)ncn1
InChIInChI=1S/C14H18N4O/c1-10-4-5-12(19-3)11(6-10)8-16-14-7-13(15-2)17-9-18-14/h4-7,9H,8H2,1-3H3,(H2,15,16,17,18)
InChIKeyIEMOVNKDFGKBKJ-UHFFFAOYSA-N
XLogP2.45
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(2,5-dimethylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 115265489
4-N-[(3,4-dimethoxyphenyl)methyl]-6-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859178
6-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80791292
4-N-[(3,4-dimethoxyphenyl)methyl]-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859045
6-N-(furan-2-ylmethyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine
CID 112858658
6-bromo-N-[(2-methoxy-5-methylphenyl)methyl]pyridin-3-amine
CID 103934347
4-N-(2-methoxy-5-methylphenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 115265440
N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-6-ethoxypyrimidin-4-amine
CID 133491052
6-N-[(4-chlorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine
CID 112860016
6-N-[(2-methoxyphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine
CID 112860098
6-N-[(2-methoxyphenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855280
6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112858911

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-methoxy-5-methylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(2-methoxy-5-methylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine (CID 115265493) is 4-N-[(2-methoxy-5-methylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(2-methoxy-5-methylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(2-methoxy-5-methylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine is CNc1cc(NCc2cc(C)ccc2OC)ncn1.
What is the InChIKey of 4-N-[(2-methoxy-5-methylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is IEMOVNKDFGKBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-4-5-12(19-3)11(6-10)8-16-14-7-13(15-2)17-9-18-14/h4-7,9H,8H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-N-[(2-methoxy-5-methylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine?
4-N-[(2-methoxy-5-methylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 258.32 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-methoxy-5-methylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 115265493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).