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

C20H26N6O — CID 90545517

IUPAC1-cyclopentyl-3-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]urea
SMILESO=C(Nc1cc(N2CCN(c3ccccc3)CC2)ncn1)NC1CCCC1
InChIInChI=1S/C20H26N6O/c27-20(23-16-6-4-5-7-16)24-18-14-19(22-15-21-18)26-12-10-25(11-13-26)17-8-2-1-3-9-17/h1-3,8-9,14-16H,4-7,10-13H2,(H2,21,22,23,24,27)
InChIKeyPAJUIKADLSTJSG-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.87
Rot. Bonds4

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

1-cyclopentyl-3-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]urea (PubChem CID 90545517) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is 1-cyclopentyl-3-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]urea
PubChem CID90545517
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name1-cyclopentyl-3-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]urea
SMILESO=C(Nc1cc(N2CCN(c3ccccc3)CC2)ncn1)NC1CCCC1
InChIInChI=1S/C20H26N6O/c27-20(23-16-6-4-5-7-16)24-18-14-19(22-15-21-18)26-12-10-25(11-13-26)17-8-2-1-3-9-17/h1-3,8-9,14-16H,4-7,10-13H2,(H2,21,22,23,24,27)
InChIKeyPAJUIKADLSTJSG-UHFFFAOYSA-N
XLogP2.87
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.87
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
N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]cyclohexanecarboxamide
CID 90545334
1-cyclohexyl-3-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]urea
CID 23652956
1-cyclopentyl-3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]urea
CID 23652749
1-(3,4-difluorophenyl)-3-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]urea
CID 90545478
1-(4-ethylphenyl)-3-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]urea
CID 90545509
1-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 90545480
2-(4-phenylphenyl)-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]acetamide
CID 90545188
2,6-difluoro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545341
2-fluoro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545166
1-phenyl-3-(6-piperidin-1-ylpyrimidin-4-yl)urea
CID 90544742
3,4,5-trimethoxy-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545207

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]urea?
The IUPAC name of 1-cyclopentyl-3-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]urea (CID 90545517) is 1-cyclopentyl-3-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]urea?
The canonical SMILES for 1-cyclopentyl-3-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]urea is O=C(Nc1cc(N2CCN(c3ccccc3)CC2)ncn1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]urea?
The InChIKey is PAJUIKADLSTJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c27-20(23-16-6-4-5-7-16)24-18-14-19(22-15-21-18)26-12-10-25(11-13-26)17-8-2-1-3-9-17/h1-3,8-9,14-16H,4-7,10-13H2,(H2,21,22,23,24,27).
What are the key properties of 1-cyclopentyl-3-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]urea?
1-cyclopentyl-3-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]urea has a molecular weight of 366.47 g/mol, XLogP of 2.87, 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-phenylpiperazin-1-yl)pyrimidin-4-yl]urea is sourced from PubChem (CID 90545517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).