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

C17H22N4 — CID 80968162

IUPAC2-cyclopropyl-4-N-(4-ethylphenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
SMILESCCc1ccc(N(C)c2cc(NC)nc(C3CC3)n2)cc1
InChIInChI=1S/C17H22N4/c1-4-12-5-9-14(10-6-12)21(3)16-11-15(18-2)19-17(20-16)13-7-8-13/h5-6,9-11,13H,4,7-8H2,1-3H3,(H,18,19,20)
InChIKeyZCUBVLVBHDGVGA-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.73
Rot. Bonds5

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

2-cyclopropyl-4-N-(4-ethylphenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine (PubChem CID 80968162) 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,6-N-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-(4-ethylphenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
PubChem CID80968162
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name2-cyclopropyl-4-N-(4-ethylphenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
SMILESCCc1ccc(N(C)c2cc(NC)nc(C3CC3)n2)cc1
InChIInChI=1S/C17H22N4/c1-4-12-5-9-14(10-6-12)21(3)16-11-15(18-2)19-17(20-16)13-7-8-13/h5-6,9-11,13H,4,7-8H2,1-3H3,(H,18,19,20)
InChIKeyZCUBVLVBHDGVGA-UHFFFAOYSA-N
XLogP3.73
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-ethylphenyl)-4-N,6-N,2-trimethylpyrimidine-4,6-diamine
CID 80816371
2-cyclopropyl-4-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 80957882
2-cyclopropyl-4-N-(4-ethylcyclohexyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80961755
2-cyclopropyl-4-N-[(3-fluorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80956101
2-cyclopropyl-4-N-(cyclopropylmethyl)-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80958721
2-cyclopropyl-4-N-(4-ethylphenyl)-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80984675
2-ethyl-N-(4-ethylphenyl)-6-hydrazinyl-N-methylpyrimidin-4-amine
CID 80936913
2-cyclopropyl-4-N,6-N-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-4,6-diamine
CID 112667758
2-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide
CID 80967047
2-cyclopropyl-4-N,6-N-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-4,6-diamine
CID 82744511
2-[butyl-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80961851
3-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 80962128

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-(4-ethylphenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-(4-ethylphenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine (CID 80968162) is 2-cyclopropyl-4-N-(4-ethylphenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-(4-ethylphenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-(4-ethylphenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine is CCc1ccc(N(C)c2cc(NC)nc(C3CC3)n2)cc1.
What is the InChIKey of 2-cyclopropyl-4-N-(4-ethylphenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The InChIKey is ZCUBVLVBHDGVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-4-12-5-9-14(10-6-12)21(3)16-11-15(18-2)19-17(20-16)13-7-8-13/h5-6,9-11,13H,4,7-8H2,1-3H3,(H,18,19,20).
What are the key properties of 2-cyclopropyl-4-N-(4-ethylphenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine?
2-cyclopropyl-4-N-(4-ethylphenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine has a molecular weight of 282.39 g/mol, XLogP of 3.73, 5 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,6-N-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80968162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).