6-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine

C13H16N4 — CID 80791292

IUPAC6-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
SMILESCNc1cc(NCc2cccc(C)c2)ncn1
InChIInChI=1S/C13H16N4/c1-10-4-3-5-11(6-10)8-15-13-7-12(14-2)16-9-17-13/h3-7,9H,8H2,1-2H3,(H2,14,15,16,17)
InChIKeyRZNLZUNFWUEALZ-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.44
Rot. Bonds4

About 6-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine

6-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine (PubChem CID 80791292) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 6-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
PubChem CID80791292
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name6-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
SMILESCNc1cc(NCc2cccc(C)c2)ncn1
InChIInChI=1S/C13H16N4/c1-10-4-3-5-11(6-10)8-15-13-7-12(14-2)16-9-17-13/h3-7,9H,8H2,1-2H3,(H2,14,15,16,17)
InChIKeyRZNLZUNFWUEALZ-UHFFFAOYSA-N
XLogP2.44
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-ethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80791044
4-N-tert-butyl-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859062
6-N-[2-(dimethylamino)ethyl]-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112857378
6-N-[(3-methylphenyl)methyl]-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 115265810
4-N-(furan-2-ylmethyl)-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112858549
6-N-[(3-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine
CID 112859074
4-N-[(3,4-dimethoxyphenyl)methyl]-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859045
4-N-cycloheptyl-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859063
2-methyl-4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112871781
6-N-[(3-methylphenyl)methyl]-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 112859143
6-N-[(3-methylphenyl)methyl]-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112859132
4-N-[(2,5-dimethylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 115265489

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine (CID 80791292) is 6-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine is CNc1cc(NCc2cccc(C)c2)ncn1.
What is the InChIKey of 6-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine?
The InChIKey is RZNLZUNFWUEALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-10-4-3-5-11(6-10)8-15-13-7-12(14-2)16-9-17-13/h3-7,9H,8H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 6-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine?
6-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine has a molecular weight of 228.30 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80791292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).