1-cyclohexyl-3-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]urea

C20H32N6O — CID 23652956

IUPAC1-cyclohexyl-3-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]urea
SMILESO=C(Nc1cc(N2CCN(C3CCCC3)CC2)ncn1)NC1CCCCC1
InChIInChI=1S/C20H32N6O/c27-20(23-16-6-2-1-3-7-16)24-18-14-19(22-15-21-18)26-12-10-25(11-13-26)17-8-4-5-9-17/h14-17H,1-13H2,(H2,21,22,23,24,27)
InChIKeyNZWKRMMJLVKNEX-UHFFFAOYSA-N
MW372.52 g/mol
LogP3.00
Rot. Bonds4

About 1-cyclohexyl-3-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]urea

1-cyclohexyl-3-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]urea (PubChem CID 23652956) has the molecular formula C20H32N6O and a molecular weight of 372.52 g/mol. Its IUPAC name is 1-cyclohexyl-3-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]urea
PubChem CID23652956
Molecular FormulaC20H32N6O
Molecular Weight372.52 g/mol
Exact Mass372.26
IUPAC Name1-cyclohexyl-3-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]urea
SMILESO=C(Nc1cc(N2CCN(C3CCCC3)CC2)ncn1)NC1CCCCC1
InChIInChI=1S/C20H32N6O/c27-20(23-16-6-2-1-3-7-16)24-18-14-19(22-15-21-18)26-12-10-25(11-13-26)17-8-4-5-9-17/h14-17H,1-13H2,(H2,21,22,23,24,27)
InChIKeyNZWKRMMJLVKNEX-UHFFFAOYSA-N
XLogP3.00
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]urea (CID 23652956) is 1-cyclohexyl-3-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]urea is O=C(Nc1cc(N2CCN(C3CCCC3)CC2)ncn1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]urea?
The InChIKey is NZWKRMMJLVKNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N6O/c27-20(23-16-6-2-1-3-7-16)24-18-14-19(22-15-21-18)26-12-10-25(11-13-26)17-8-4-5-9-17/h14-17H,1-13H2,(H2,21,22,23,24,27).
What are the key properties of 1-cyclohexyl-3-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]urea?
1-cyclohexyl-3-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]urea has a molecular weight of 372.52 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]urea is sourced from PubChem (CID 23652956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).