4-N-cyclopentyl-2-ethyl-5-phenylpyrimidine-4,6-diamine

C17H22N4 — CID 150663318

IUPAC4-N-cyclopentyl-2-ethyl-5-phenylpyrimidine-4,6-diamine
SMILESCCc1nc(N)c(-c2ccccc2)c(NC2CCCC2)n1
InChIInChI=1S/C17H22N4/c1-2-14-20-16(18)15(12-8-4-3-5-9-12)17(21-14)19-13-10-6-7-11-13/h3-5,8-9,13H,2,6-7,10-11H2,1H3,(H3,18,19,20,21)
InChIKeyJEIJWYBUHYGZDM-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.64
Rot. Bonds4

About 4-N-cyclopentyl-2-ethyl-5-phenylpyrimidine-4,6-diamine

4-N-cyclopentyl-2-ethyl-5-phenylpyrimidine-4,6-diamine (PubChem CID 150663318) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-N-cyclopentyl-2-ethyl-5-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopentyl-2-ethyl-5-phenylpyrimidine-4,6-diamine
PubChem CID150663318
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name4-N-cyclopentyl-2-ethyl-5-phenylpyrimidine-4,6-diamine
SMILESCCc1nc(N)c(-c2ccccc2)c(NC2CCCC2)n1
InChIInChI=1S/C17H22N4/c1-2-14-20-16(18)15(12-8-4-3-5-9-12)17(21-14)19-13-10-6-7-11-13/h3-5,8-9,13H,2,6-7,10-11H2,1H3,(H3,18,19,20,21)
InChIKeyJEIJWYBUHYGZDM-UHFFFAOYSA-N
XLogP3.64
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-2-ethyl-5-phenylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopentyl-2-ethyl-5-phenylpyrimidine-4,6-diamine (CID 150663318) is 4-N-cyclopentyl-2-ethyl-5-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopentyl-2-ethyl-5-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopentyl-2-ethyl-5-phenylpyrimidine-4,6-diamine is CCc1nc(N)c(-c2ccccc2)c(NC2CCCC2)n1.
What is the InChIKey of 4-N-cyclopentyl-2-ethyl-5-phenylpyrimidine-4,6-diamine?
The InChIKey is JEIJWYBUHYGZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-2-14-20-16(18)15(12-8-4-3-5-9-12)17(21-14)19-13-10-6-7-11-13/h3-5,8-9,13H,2,6-7,10-11H2,1H3,(H3,18,19,20,21).
What are the key properties of 4-N-cyclopentyl-2-ethyl-5-phenylpyrimidine-4,6-diamine?
4-N-cyclopentyl-2-ethyl-5-phenylpyrimidine-4,6-diamine has a molecular weight of 282.39 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-2-ethyl-5-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 150663318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).