4-N-(2,3-dimethylcyclopentyl)-2-phenylpyrimidine-4,6-diamine

C17H22N4 — CID 115915661

IUPAC4-N-(2,3-dimethylcyclopentyl)-2-phenylpyrimidine-4,6-diamine
SMILESCC1CCC(Nc2cc(N)nc(-c3ccccc3)n2)C1C
InChIInChI=1S/C17H22N4/c1-11-8-9-14(12(11)2)19-16-10-15(18)20-17(21-16)13-6-4-3-5-7-13/h3-7,10-12,14H,8-9H2,1-2H3,(H3,18,19,20,21)
InChIKeyWWHQZXXQMUKUBO-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.57
Rot. Bonds3

About 4-N-(2,3-dimethylcyclopentyl)-2-phenylpyrimidine-4,6-diamine

4-N-(2,3-dimethylcyclopentyl)-2-phenylpyrimidine-4,6-diamine (PubChem CID 115915661) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-N-(2,3-dimethylcyclopentyl)-2-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,3-dimethylcyclopentyl)-2-phenylpyrimidine-4,6-diamine
PubChem CID115915661
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name4-N-(2,3-dimethylcyclopentyl)-2-phenylpyrimidine-4,6-diamine
SMILESCC1CCC(Nc2cc(N)nc(-c3ccccc3)n2)C1C
InChIInChI=1S/C17H22N4/c1-11-8-9-14(12(11)2)19-16-10-15(18)20-17(21-16)13-6-4-3-5-7-13/h3-7,10-12,14H,8-9H2,1-2H3,(H3,18,19,20,21)
InChIKeyWWHQZXXQMUKUBO-UHFFFAOYSA-N
XLogP3.57
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dimethylcyclopentyl)-2-phenylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,3-dimethylcyclopentyl)-2-phenylpyrimidine-4,6-diamine (CID 115915661) is 4-N-(2,3-dimethylcyclopentyl)-2-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,3-dimethylcyclopentyl)-2-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,3-dimethylcyclopentyl)-2-phenylpyrimidine-4,6-diamine is CC1CCC(Nc2cc(N)nc(-c3ccccc3)n2)C1C.
What is the InChIKey of 4-N-(2,3-dimethylcyclopentyl)-2-phenylpyrimidine-4,6-diamine?
The InChIKey is WWHQZXXQMUKUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-11-8-9-14(12(11)2)19-16-10-15(18)20-17(21-16)13-6-4-3-5-7-13/h3-7,10-12,14H,8-9H2,1-2H3,(H3,18,19,20,21).
What are the key properties of 4-N-(2,3-dimethylcyclopentyl)-2-phenylpyrimidine-4,6-diamine?
4-N-(2,3-dimethylcyclopentyl)-2-phenylpyrimidine-4,6-diamine has a molecular weight of 282.39 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dimethylcyclopentyl)-2-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 115915661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).