6-N-methyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine

C14H18N4 — CID 80801495

IUPAC6-N-methyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine
SMILESCNc1cc(NC(C)c2ccccc2C)ncn1
InChIInChI=1S/C14H18N4/c1-10-6-4-5-7-12(10)11(2)18-14-8-13(15-3)16-9-17-14/h4-9,11H,1-3H3,(H2,15,16,17,18)
InChIKeyOJEAZNBWDVYFRO-UHFFFAOYSA-N
MW242.33 g/mol
LogP3.00
Rot. Bonds4

About 6-N-methyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine

6-N-methyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine (PubChem CID 80801495) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 6-N-methyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine
PubChem CID80801495
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name6-N-methyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine
SMILESCNc1cc(NC(C)c2ccccc2C)ncn1
InChIInChI=1S/C14H18N4/c1-10-6-4-5-7-12(10)11(2)18-14-8-13(15-3)16-9-17-14/h4-9,11H,1-3H3,(H2,15,16,17,18)
InChIKeyOJEAZNBWDVYFRO-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid
CID 60709058
4-N-[1-(3-bromophenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine
CID 80808089
6-N-(2,6-dimethylphenyl)-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112859346
2-methyl-4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 80783678
N-[1-(2,3-dichlorophenyl)ethyl]-6-methylpyrimidin-4-amine
CID 133307821
N-[1-(2-methylphenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 60703918
6-chloro-N-[1-(2-methylphenyl)ethyl]-5-propan-2-ylpyrimidin-4-amine
CID 63729650
6-N-methyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80844662
3,6-dimethyl-N-[1-(2-methylphenyl)ethyl]pyrazin-2-amine
CID 60703972
4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80783031
5-methyl-N-[1-(2-methylphenyl)ethyl]-1H-imidazol-2-amine
CID 106567449
2-methyl-N-[1-(2-methylphenyl)ethyl]pyridin-3-amine
CID 79041978

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine (CID 80801495) is 6-N-methyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine is CNc1cc(NC(C)c2ccccc2C)ncn1.
What is the InChIKey of 6-N-methyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is OJEAZNBWDVYFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-10-6-4-5-7-12(10)11(2)18-14-8-13(15-3)16-9-17-14/h4-9,11H,1-3H3,(H2,15,16,17,18).
What are the key properties of 6-N-methyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine?
6-N-methyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 242.33 g/mol, XLogP of 3.00, 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-[1-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80801495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).