4-N-cyclopropyl-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine

C17H22N4 — CID 112932921

IUPAC4-N-cyclopropyl-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
SMILESCC(C)CNc1nc(NC2CC2)cc(-c2ccccc2)n1
InChIInChI=1S/C17H22N4/c1-12(2)11-18-17-20-15(13-6-4-3-5-7-13)10-16(21-17)19-14-8-9-14/h3-7,10,12,14H,8-9,11H2,1-2H3,(H2,18,19,20,21)
InChIKeyYTBHVVDGHLESOE-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.79
Rot. Bonds6

About 4-N-cyclopropyl-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine

4-N-cyclopropyl-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine (PubChem CID 112932921) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-N-cyclopropyl-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
PubChem CID112932921
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name4-N-cyclopropyl-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
SMILESCC(C)CNc1nc(NC2CC2)cc(-c2ccccc2)n1
InChIInChI=1S/C17H22N4/c1-12(2)11-18-17-20-15(13-6-4-3-5-7-13)10-16(21-17)19-14-8-9-14/h3-7,10,12,14H,8-9,11H2,1-2H3,(H2,18,19,20,21)
InChIKeyYTBHVVDGHLESOE-UHFFFAOYSA-N
XLogP3.79
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclopropyl-2-N-[(2-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
CID 112932942
4-N-cyclopropyl-6-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112932919
4-N-cyclopropyl-2-N-[3-(dimethylamino)propyl]-6-phenylpyrimidine-2,4-diamine
CID 112932935
4-N-(2-methylpropyl)-2-N,6-diphenylpyrimidine-2,4-diamine
CID 112933760
4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
CID 112933893
2-N-[2-(3-chlorophenyl)ethyl]-4-N-cyclopropyl-6-phenylpyrimidine-2,4-diamine
CID 112932996
2-N-(1,3-benzodioxol-5-ylmethyl)-4-N-cyclopropyl-6-phenylpyrimidine-2,4-diamine
CID 112932953
4-N-[2-(2-methoxyphenyl)ethyl]-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
CID 112933832
4-N-cycloheptyl-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112937172
4-N-(2-methylpropyl)-6-phenyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112933732
2-N-(furan-2-ylmethyl)-4-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
CID 112933719
2-N-(oxolan-2-ylmethyl)-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932649

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopropyl-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine (CID 112932921) is 4-N-cyclopropyl-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine is CC(C)CNc1nc(NC2CC2)cc(-c2ccccc2)n1.
What is the InChIKey of 4-N-cyclopropyl-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine?
The InChIKey is YTBHVVDGHLESOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-12(2)11-18-17-20-15(13-6-4-3-5-7-13)10-16(21-17)19-14-8-9-14/h3-7,10,12,14H,8-9,11H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 4-N-cyclopropyl-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine?
4-N-cyclopropyl-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine has a molecular weight of 282.39 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112932921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).