2-cyclopropyl-5-methyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine

C17H22N4 — CID 104592555

IUPAC2-cyclopropyl-5-methyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine
SMILESCc1c(N)nc(C2CC2)nc1NCC(C)c1ccccc1
InChIInChI=1S/C17H22N4/c1-11(13-6-4-3-5-7-13)10-19-16-12(2)15(18)20-17(21-16)14-8-9-14/h3-7,11,14H,8-10H2,1-2H3,(H3,18,19,20,21)
InChIKeyJKBJASMZPIVKAR-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.46
Rot. Bonds5

About 2-cyclopropyl-5-methyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine

2-cyclopropyl-5-methyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine (PubChem CID 104592555) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-cyclopropyl-5-methyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-5-methyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine
PubChem CID104592555
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name2-cyclopropyl-5-methyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine
SMILESCc1c(N)nc(C2CC2)nc1NCC(C)c1ccccc1
InChIInChI=1S/C17H22N4/c1-11(13-6-4-3-5-7-13)10-19-16-12(2)15(18)20-17(21-16)14-8-9-14/h3-7,11,14H,8-10H2,1-2H3,(H3,18,19,20,21)
InChIKeyJKBJASMZPIVKAR-UHFFFAOYSA-N
XLogP3.46
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-4-N-(2-phenylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 104592544
2-cyclopropyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine
CID 104592592
5-methyl-4-N-(2-phenylpropyl)-2-propylpyrimidine-4,6-diamine
CID 104592591
2-cyclopropyl-4-N-(2-methoxypropyl)-5-methylpyrimidine-4,6-diamine
CID 102701899
2-cyclopropyl-5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine
CID 80985077
5-methyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine
CID 113430292
6-methyl-2-N-(2-phenylpropyl)pyridine-2,3-diamine
CID 104591310
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-phenylethanol
CID 80779208
6-chloro-2-N-(2-phenylpropyl)pyridine-2,3-diamine
CID 104591315
2-cyclopropyl-5-methyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80985188
2-cyclopropyl-5-methyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine
CID 80984520
2-cyclopropyl-6-N-ethyl-5-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 80976188

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-methyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-5-methyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine (CID 104592555) is 2-cyclopropyl-5-methyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-5-methyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-5-methyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine is Cc1c(N)nc(C2CC2)nc1NCC(C)c1ccccc1.
What is the InChIKey of 2-cyclopropyl-5-methyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine?
The InChIKey is JKBJASMZPIVKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-11(13-6-4-3-5-7-13)10-19-16-12(2)15(18)20-17(21-16)14-8-9-14/h3-7,11,14H,8-10H2,1-2H3,(H3,18,19,20,21).
What are the key properties of 2-cyclopropyl-5-methyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine?
2-cyclopropyl-5-methyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine has a molecular weight of 282.39 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-methyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 104592555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).