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

C14H18N4 — CID 115265489

IUPAC4-N-[(2,5-dimethylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(NCc2cc(C)ccc2C)ncn1
InChIInChI=1S/C14H18N4/c1-10-4-5-11(2)12(6-10)8-16-14-7-13(15-3)17-9-18-14/h4-7,9H,8H2,1-3H3,(H2,15,16,17,18)
InChIKeyYTTNHAYTAOIGHF-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.75
Rot. Bonds4

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

4-N-[(2,5-dimethylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine (PubChem CID 115265489) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 4-N-[(2,5-dimethylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(2,5-dimethylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine
PubChem CID115265489
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name4-N-[(2,5-dimethylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(NCc2cc(C)ccc2C)ncn1
InChIInChI=1S/C14H18N4/c1-10-4-5-11(2)12(6-10)8-16-14-7-13(15-3)17-9-18-14/h4-7,9H,8H2,1-3H3,(H2,15,16,17,18)
InChIKeyYTTNHAYTAOIGHF-UHFFFAOYSA-N
XLogP2.75
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(2-methoxy-5-methylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 115265493
6-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80791292
5-bromo-N-[(2,5-dimethylphenyl)methyl]-4-methylpyridin-2-amine
CID 115147105
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 114139841
1-(2,5-dimethylphenyl)-N-methylmethanamine;ethane
CID 142925583
N-[(2,5-dimethylphenyl)methyl]-3,5-dimethylaniline
CID 60685873
6-N-benzyl-4-N-(2,5-dimethylphenyl)pyrimidine-4,6-diamine
CID 112858790
6-N-methyl-4-N-[(4-methylsulfanylphenyl)methyl]pyrimidine-4,6-diamine
CID 115265512
N-[(2,4-dimethylphenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133297567
4-N-[(2,4-dimethylphenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 115265529
N-[2-(2,4-dimethylphenyl)ethyl]-6-methylpyrimidin-4-amine
CID 133299032
4-N-[(3,4-difluorophenyl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 80805369

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2,5-dimethylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(2,5-dimethylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine (CID 115265489) is 4-N-[(2,5-dimethylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(2,5-dimethylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(2,5-dimethylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine is CNc1cc(NCc2cc(C)ccc2C)ncn1.
What is the InChIKey of 4-N-[(2,5-dimethylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is YTTNHAYTAOIGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-10-4-5-11(2)12(6-10)8-16-14-7-13(15-3)17-9-18-14/h4-7,9H,8H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-N-[(2,5-dimethylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine?
4-N-[(2,5-dimethylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 242.33 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2,5-dimethylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 115265489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).