2-cyclopropyl-4-N-(4-ethylphenyl)-4-N,5-dimethylpyrimidine-4,6-diamine

C17H22N4 — CID 80984675

IUPAC2-cyclopropyl-4-N-(4-ethylphenyl)-4-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCc1ccc(N(C)c2nc(C3CC3)nc(N)c2C)cc1
InChIInChI=1S/C17H22N4/c1-4-12-5-9-14(10-6-12)21(3)17-11(2)15(18)19-16(20-17)13-7-8-13/h5-6,9-10,13H,4,7-8H2,1-3H3,(H2,18,19,20)
InChIKeyDCGMDVKEYXLNDP-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.57
Rot. Bonds4

About 2-cyclopropyl-4-N-(4-ethylphenyl)-4-N,5-dimethylpyrimidine-4,6-diamine

2-cyclopropyl-4-N-(4-ethylphenyl)-4-N,5-dimethylpyrimidine-4,6-diamine (PubChem CID 80984675) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-(4-ethylphenyl)-4-N,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-(4-ethylphenyl)-4-N,5-dimethylpyrimidine-4,6-diamine
PubChem CID80984675
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name2-cyclopropyl-4-N-(4-ethylphenyl)-4-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCc1ccc(N(C)c2nc(C3CC3)nc(N)c2C)cc1
InChIInChI=1S/C17H22N4/c1-4-12-5-9-14(10-6-12)21(3)17-11(2)15(18)19-16(20-17)13-7-8-13/h5-6,9-10,13H,4,7-8H2,1-3H3,(H2,18,19,20)
InChIKeyDCGMDVKEYXLNDP-UHFFFAOYSA-N
XLogP3.57
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-4-N,5-dimethyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 80983282
4-N-(4-ethylphenyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80817498
2-cyclopropyl-4-N,5-dimethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 80982951
2-cyclopropyl-6-(4-ethylphenoxy)-5-methylpyrimidin-4-amine
CID 80989231
2-cyclopropyl-4-N,5-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 80994161
2-cyclopropyl-4-N-(4-ethylphenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80968162
2-cyclopropyl-4-N-(furan-3-ylmethyl)-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80986494
2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 80986308
2-cyclopropyl-4-N,5-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80993505
4-N-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80987922
2-cyclopropyl-4-N-ethyl-4-N-(2-ethylbutyl)-5-methylpyrimidine-4,6-diamine
CID 80987255
4-N-(cyclobutylmethyl)-2-cyclopropyl-4-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 107403129

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-(4-ethylphenyl)-4-N,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-(4-ethylphenyl)-4-N,5-dimethylpyrimidine-4,6-diamine (CID 80984675) is 2-cyclopropyl-4-N-(4-ethylphenyl)-4-N,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-(4-ethylphenyl)-4-N,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-(4-ethylphenyl)-4-N,5-dimethylpyrimidine-4,6-diamine is CCc1ccc(N(C)c2nc(C3CC3)nc(N)c2C)cc1.
What is the InChIKey of 2-cyclopropyl-4-N-(4-ethylphenyl)-4-N,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is DCGMDVKEYXLNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-4-12-5-9-14(10-6-12)21(3)17-11(2)15(18)19-16(20-17)13-7-8-13/h5-6,9-10,13H,4,7-8H2,1-3H3,(H2,18,19,20).
What are the key properties of 2-cyclopropyl-4-N-(4-ethylphenyl)-4-N,5-dimethylpyrimidine-4,6-diamine?
2-cyclopropyl-4-N-(4-ethylphenyl)-4-N,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 282.39 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-(4-ethylphenyl)-4-N,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80984675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).