4-N-(4-methylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine

C15H20N4 — CID 112855340

IUPAC4-N-(4-methylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
SMILESCc1ccc(Nc2cc(NCC(C)C)ncn2)cc1
InChIInChI=1S/C15H20N4/c1-11(2)9-16-14-8-15(18-10-17-14)19-13-6-4-12(3)5-7-13/h4-8,10-11H,9H2,1-3H3,(H2,16,17,18,19)
InChIKeyXKWWYYSJYWLCEM-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.60
Rot. Bonds5

About 4-N-(4-methylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine

4-N-(4-methylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine (PubChem CID 112855340) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-N-(4-methylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-methylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
PubChem CID112855340
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name4-N-(4-methylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
SMILESCc1ccc(Nc2cc(NCC(C)C)ncn2)cc1
InChIInChI=1S/C15H20N4/c1-11(2)9-16-14-8-15(18-10-17-14)19-13-6-4-12(3)5-7-13/h4-8,10-11H,9H2,1-3H3,(H2,16,17,18,19)
InChIKeyXKWWYYSJYWLCEM-UHFFFAOYSA-N
XLogP3.60
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-chlorophenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855365
4-N-(4-ethylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855351
6-N-(2-methylpropyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112855389
4-N-(2,4-dimethylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855344
4-N-[3-(aminomethyl)phenyl]-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 174295030
6-hydrazinyl-N-(2-methylpropyl)pyrimidin-4-amine
CID 80932371
4-N-(4-fluorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112864011
4-N-(3-chloro-2-methylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855366
N-(2-methylpropyl)-6-methylsulfanylpyrimidin-4-amine
CID 106972533
ethyl 2-[[6-(2-methylpropylamino)pyrimidin-4-yl]amino]benzoate
CID 112855434
N-(2,4-dimethylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109340287
6-N-ethyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine
CID 115265643

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-methylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine (CID 112855340) is 4-N-(4-methylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-methylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-methylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine is Cc1ccc(Nc2cc(NCC(C)C)ncn2)cc1.
What is the InChIKey of 4-N-(4-methylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine?
The InChIKey is XKWWYYSJYWLCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-11(2)9-16-14-8-15(18-10-17-14)19-13-6-4-12(3)5-7-13/h4-8,10-11H,9H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 4-N-(4-methylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine?
4-N-(4-methylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine has a molecular weight of 256.35 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112855340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).