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

C16H22N4 — CID 112855344

IUPAC4-N-(2,4-dimethylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
SMILESCc1ccc(Nc2cc(NCC(C)C)ncn2)c(C)c1
InChIInChI=1S/C16H22N4/c1-11(2)9-17-15-8-16(19-10-18-15)20-14-6-5-12(3)7-13(14)4/h5-8,10-11H,9H2,1-4H3,(H2,17,18,19,20)
InChIKeyNKEDSOTYVOXSHO-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.90
Rot. Bonds5

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

4-N-(2,4-dimethylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine (PubChem CID 112855344) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-N-(2,4-dimethylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,4-dimethylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
PubChem CID112855344
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name4-N-(2,4-dimethylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
SMILESCc1ccc(Nc2cc(NCC(C)C)ncn2)c(C)c1
InChIInChI=1S/C16H22N4/c1-11(2)9-17-15-8-16(19-10-18-15)20-14-6-5-12(3)7-13(14)4/h5-8,10-11H,9H2,1-4H3,(H2,17,18,19,20)
InChIKeyNKEDSOTYVOXSHO-UHFFFAOYSA-N
XLogP3.90
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-methylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855340
4-N-(2,4-dimethylphenyl)-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112854964
N-(2,4-dimethylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109340287
4-N-(3-chloro-2-methylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855366
4-N-(2,4-dimethylphenyl)-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine
CID 112859762
4-N-cyclopropyl-6-N-(2,4-dimethylphenyl)pyrimidine-4,6-diamine
CID 112854769
4-N-(4-chlorophenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855365
6-hydrazinyl-N-(2-methylpropyl)pyrimidin-4-amine
CID 80932371
4-N-(2-bromo-4-methylphenyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80768500
4-N-(4-ethylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855351
ethyl 2-[[6-(2-methylpropylamino)pyrimidin-4-yl]amino]benzoate
CID 112855434
6-N-[4-(dimethylamino)phenyl]-4-N-(2,4-dimethylphenyl)pyrimidine-4,6-diamine
CID 112865180

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-dimethylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,4-dimethylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine (CID 112855344) is 4-N-(2,4-dimethylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,4-dimethylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,4-dimethylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine is Cc1ccc(Nc2cc(NCC(C)C)ncn2)c(C)c1.
What is the InChIKey of 4-N-(2,4-dimethylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine?
The InChIKey is NKEDSOTYVOXSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-11(2)9-17-15-8-16(19-10-18-15)20-14-6-5-12(3)7-13(14)4/h5-8,10-11H,9H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 4-N-(2,4-dimethylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine?
4-N-(2,4-dimethylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-dimethylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112855344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).