2-[(N,2-dimethylanilino)methyl]-N-ethyl-6-methylpyrimidin-4-amine

C16H22N4 — CID 80658321

IUPAC2-[(N,2-dimethylanilino)methyl]-N-ethyl-6-methylpyrimidin-4-amine
SMILESCCNc1cc(C)nc(CN(C)c2ccccc2C)n1
InChIInChI=1S/C16H22N4/c1-5-17-15-10-13(3)18-16(19-15)11-20(4)14-9-7-6-8-12(14)2/h6-10H,5,11H2,1-4H3,(H,17,18,19)
InChIKeyGHTJHVMOYRVVHB-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.16
Rot. Bonds5

About 2-[(N,2-dimethylanilino)methyl]-N-ethyl-6-methylpyrimidin-4-amine

2-[(N,2-dimethylanilino)methyl]-N-ethyl-6-methylpyrimidin-4-amine (PubChem CID 80658321) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[(N,2-dimethylanilino)methyl]-N-ethyl-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(N,2-dimethylanilino)methyl]-N-ethyl-6-methylpyrimidin-4-amine
PubChem CID80658321
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-[(N,2-dimethylanilino)methyl]-N-ethyl-6-methylpyrimidin-4-amine
SMILESCCNc1cc(C)nc(CN(C)c2ccccc2C)n1
InChIInChI=1S/C16H22N4/c1-5-17-15-10-13(3)18-16(19-15)11-20(4)14-9-7-6-8-12(14)2/h6-10H,5,11H2,1-4H3,(H,17,18,19)
InChIKeyGHTJHVMOYRVVHB-UHFFFAOYSA-N
XLogP3.16
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pyrimidin-4-amine
CID 80657417
2-[(dimethylamino)methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 79089446
N-ethyl-6-methyl-2-[(N,3,5-trimethylanilino)methyl]pyrimidin-4-amine
CID 80658105
N-ethyl-2-[(4-fluoro-N-methylanilino)methyl]-6-methylpyrimidin-4-amine
CID 80657850
2-benzyl-N-ethyl-6-methylpyrimidin-4-amine
CID 62191071
2-[[cyclopentyl(methyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80658200
6-N-ethyl-4-N,2-dimethyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 80817435
3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl-methylamino]propanenitrile
CID 80657126
2-[[cyclopentylmethyl(methyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80658060
3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl-methylamino]-2-methylpropanenitrile
CID 80658310
N-ethyl-6-methyl-2-(2-methylpropyl)pyrimidin-4-amine
CID 62191589
N-[[4-(ethylaminomethyl)phenyl]methyl]-N,2-dimethylaniline
CID 62435259

Frequently Asked Questions

What is the IUPAC name of 2-[(N,2-dimethylanilino)methyl]-N-ethyl-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[(N,2-dimethylanilino)methyl]-N-ethyl-6-methylpyrimidin-4-amine (CID 80658321) is 2-[(N,2-dimethylanilino)methyl]-N-ethyl-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(N,2-dimethylanilino)methyl]-N-ethyl-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(N,2-dimethylanilino)methyl]-N-ethyl-6-methylpyrimidin-4-amine is CCNc1cc(C)nc(CN(C)c2ccccc2C)n1.
What is the InChIKey of 2-[(N,2-dimethylanilino)methyl]-N-ethyl-6-methylpyrimidin-4-amine?
The InChIKey is GHTJHVMOYRVVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-5-17-15-10-13(3)18-16(19-15)11-20(4)14-9-7-6-8-12(14)2/h6-10H,5,11H2,1-4H3,(H,17,18,19).
What are the key properties of 2-[(N,2-dimethylanilino)methyl]-N-ethyl-6-methylpyrimidin-4-amine?
2-[(N,2-dimethylanilino)methyl]-N-ethyl-6-methylpyrimidin-4-amine has a molecular weight of 270.38 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(N,2-dimethylanilino)methyl]-N-ethyl-6-methylpyrimidin-4-amine is sourced from PubChem (CID 80658321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).