4-N-(2,4-dimethylphenyl)-2-N-ethyl-4-N,6-dimethylpyrimidine-2,4-diamine

C16H22N4 — CID 80818316

IUPAC4-N-(2,4-dimethylphenyl)-2-N-ethyl-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCCNc1nc(C)cc(N(C)c2ccc(C)cc2C)n1
InChIInChI=1S/C16H22N4/c1-6-17-16-18-13(4)10-15(19-16)20(5)14-8-7-11(2)9-12(14)3/h7-10H,6H2,1-5H3,(H,17,18,19)
InChIKeyQOVDBZMHCOMYKP-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.60
Rot. Bonds4

About 4-N-(2,4-dimethylphenyl)-2-N-ethyl-4-N,6-dimethylpyrimidine-2,4-diamine

4-N-(2,4-dimethylphenyl)-2-N-ethyl-4-N,6-dimethylpyrimidine-2,4-diamine (PubChem CID 80818316) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-N-(2,4-dimethylphenyl)-2-N-ethyl-4-N,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,4-dimethylphenyl)-2-N-ethyl-4-N,6-dimethylpyrimidine-2,4-diamine
PubChem CID80818316
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name4-N-(2,4-dimethylphenyl)-2-N-ethyl-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCCNc1nc(C)cc(N(C)c2ccc(C)cc2C)n1
InChIInChI=1S/C16H22N4/c1-6-17-16-18-13(4)10-15(19-16)20(5)14-8-7-11(2)9-12(14)3/h7-10H,6H2,1-5H3,(H,17,18,19)
InChIKeyQOVDBZMHCOMYKP-UHFFFAOYSA-N
XLogP3.60
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-methylamino]benzonitrile
CID 80852105
4-N-(2,4-dimethylphenyl)-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80954477
4-N-(2,4-dimethylphenyl)-2-N-ethyl-5-fluoro-4-N-methylpyrimidine-2,4-diamine
CID 80817893
4-N-(2,4-dimethylphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine
CID 80818399
N-(2,4-dimethylphenyl)-2-ethyl-6-hydrazinyl-N-methylpyrimidin-4-amine
CID 80937070
2-[ethyl-[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethanol
CID 80791333
2-N-ethyl-6-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine
CID 80775316
2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide
CID 80806362
4-N-(cyclobutylmethyl)-2-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 107403115
6-N-(2,4-dimethylphenyl)-2-N,6-N-dimethylpyridine-2,6-diamine
CID 80818401
4-N,6-dimethyl-2-N-[(2-methylphenyl)methyl]-4-N-phenylpyrimidine-2,4-diamine
CID 112915980
4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-ethyl-4-N,6-dimethylpyrimidine-2,4-diamine
CID 105420925

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-dimethylphenyl)-2-N-ethyl-4-N,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,4-dimethylphenyl)-2-N-ethyl-4-N,6-dimethylpyrimidine-2,4-diamine (CID 80818316) is 4-N-(2,4-dimethylphenyl)-2-N-ethyl-4-N,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,4-dimethylphenyl)-2-N-ethyl-4-N,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,4-dimethylphenyl)-2-N-ethyl-4-N,6-dimethylpyrimidine-2,4-diamine is CCNc1nc(C)cc(N(C)c2ccc(C)cc2C)n1.
What is the InChIKey of 4-N-(2,4-dimethylphenyl)-2-N-ethyl-4-N,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is QOVDBZMHCOMYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-6-17-16-18-13(4)10-15(19-16)20(5)14-8-7-11(2)9-12(14)3/h7-10H,6H2,1-5H3,(H,17,18,19).
What are the key properties of 4-N-(2,4-dimethylphenyl)-2-N-ethyl-4-N,6-dimethylpyrimidine-2,4-diamine?
4-N-(2,4-dimethylphenyl)-2-N-ethyl-4-N,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-dimethylphenyl)-2-N-ethyl-4-N,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80818316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).