1-cyclopentyl-3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]urea

C16H26N6O — CID 23652749

IUPAC1-cyclopentyl-3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]urea
SMILESCCN1CCN(c2cc(NC(=O)NC3CCCC3)ncn2)CC1
InChIInChI=1S/C16H26N6O/c1-2-21-7-9-22(10-8-21)15-11-14(17-12-18-15)20-16(23)19-13-5-3-4-6-13/h11-13H,2-10H2,1H3,(H2,17,18,19,20,23)
InChIKeyKHMHSXSXTONISI-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.68
Rot. Bonds4

About 1-cyclopentyl-3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]urea

1-cyclopentyl-3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]urea (PubChem CID 23652749) has the molecular formula C16H26N6O and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-cyclopentyl-3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]urea
PubChem CID23652749
Molecular FormulaC16H26N6O
Molecular Weight318.42 g/mol
Exact Mass318.22
IUPAC Name1-cyclopentyl-3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]urea
SMILESCCN1CCN(c2cc(NC(=O)NC3CCCC3)ncn2)CC1
InChIInChI=1S/C16H26N6O/c1-2-21-7-9-22(10-8-21)15-11-14(17-12-18-15)20-16(23)19-13-5-3-4-6-13/h11-13H,2-10H2,1H3,(H2,17,18,19,20,23)
InChIKeyKHMHSXSXTONISI-UHFFFAOYSA-N
XLogP1.68
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-3-cyclohexylurea
CID 90545849
1-cyclohexyl-3-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]urea
CID 23652956
1-cyclopentyl-3-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]urea
CID 90545517
N-cyclopropyl-6-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109339234
2-cyclohexyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide
CID 90543700
N-(6-piperidin-1-ylpyrimidin-4-yl)cyclopentanecarboxamide
CID 90544433
1-cyclopentyl-3-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]urea
CID 45376677
1-ethyl-4-[6-(4-ethyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-1,4-diazepane
CID 166231873
N-(2,6-diethylphenyl)-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine
CID 112858113
N-cyclopentyl-4-(6-methylpyrimidin-4-yl)piperazine-1-carboxamide
CID 71795117
N-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidine-1-carboxamide
CID 23652954
ethyl 4-[[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]amino]benzoate
CID 112858175

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]urea?
The IUPAC name of 1-cyclopentyl-3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]urea (CID 23652749) is 1-cyclopentyl-3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]urea?
The canonical SMILES for 1-cyclopentyl-3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]urea is CCN1CCN(c2cc(NC(=O)NC3CCCC3)ncn2)CC1.
What is the InChIKey of 1-cyclopentyl-3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]urea?
The InChIKey is KHMHSXSXTONISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O/c1-2-21-7-9-22(10-8-21)15-11-14(17-12-18-15)20-16(23)19-13-5-3-4-6-13/h11-13H,2-10H2,1H3,(H2,17,18,19,20,23).
What are the key properties of 1-cyclopentyl-3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]urea?
1-cyclopentyl-3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]urea has a molecular weight of 318.42 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]urea is sourced from PubChem (CID 23652749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).