1-cyclopentyl-3-(2-pyridin-4-ylpyrimidin-4-yl)urea

C15H17N5O — CID 21404741

IUPAC1-cyclopentyl-3-(2-pyridin-4-ylpyrimidin-4-yl)urea
SMILESO=C(Nc1ccnc(-c2ccncc2)n1)NC1CCCC1
InChIInChI=1S/C15H17N5O/c21-15(18-12-3-1-2-4-12)20-13-7-10-17-14(19-13)11-5-8-16-9-6-11/h5-10,12H,1-4H2,(H2,17,18,19,20,21)
InChIKeySRHOJYGQXSOCDV-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.60
Rot. Bonds3

About 1-cyclopentyl-3-(2-pyridin-4-ylpyrimidin-4-yl)urea

1-cyclopentyl-3-(2-pyridin-4-ylpyrimidin-4-yl)urea (PubChem CID 21404741) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2-pyridin-4-ylpyrimidin-4-yl)urea.

Molecular Properties

Compound Name1-cyclopentyl-3-(2-pyridin-4-ylpyrimidin-4-yl)urea
PubChem CID21404741
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name1-cyclopentyl-3-(2-pyridin-4-ylpyrimidin-4-yl)urea
SMILESO=C(Nc1ccnc(-c2ccncc2)n1)NC1CCCC1
InChIInChI=1S/C15H17N5O/c21-15(18-12-3-1-2-4-12)20-13-7-10-17-14(19-13)11-5-8-16-9-6-11/h5-10,12H,1-4H2,(H2,17,18,19,20,21)
InChIKeySRHOJYGQXSOCDV-UHFFFAOYSA-N
XLogP2.60
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-3-[6-(cyclohexylcarbamoylamino)-2-pyridinyl]urea
CID 4149033
1-cycloheptyl-3-(1,2-oxazol-3-yl)urea
CID 108811981
1-(4-bromo-2-pyridinyl)-3-cyclopentylurea
CID 108902777
1-(4-chloro-2-pyridinyl)-3-cyclopentylurea
CID 108902776
N-cyclopropyl-4-[4-(cyclopropylamino)pyrimidin-2-yl]benzamide
CID 117084829
N-cyclopentylpyridine-4-carboxamide
CID 4212000
1-cyclopentyl-3-pyrido[2,3-d]pyrimidin-7-ylurea
CID 141037409
1-cyclohexyl-3-[4-(cyclohexylcarbamoylamino)-6-phenyl-1,3,5-triazin-2-yl]urea
CID 27162469
N-cyclohexylpyridine-4-carboxamide
CID 3436730
1-cyclopropyl-3-(4-methyl-2-pyridinyl)urea
CID 108887621
1-(2-bromo-4-pyridinyl)-3-cyclobutylurea
CID 130682535
1-(2-chloro-4-pyridinyl)-3-cyclobutylurea
CID 14625236

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(2-pyridin-4-ylpyrimidin-4-yl)urea?
The IUPAC name of 1-cyclopentyl-3-(2-pyridin-4-ylpyrimidin-4-yl)urea (CID 21404741) is 1-cyclopentyl-3-(2-pyridin-4-ylpyrimidin-4-yl)urea.
What is the SMILES notation for 1-cyclopentyl-3-(2-pyridin-4-ylpyrimidin-4-yl)urea?
The canonical SMILES for 1-cyclopentyl-3-(2-pyridin-4-ylpyrimidin-4-yl)urea is O=C(Nc1ccnc(-c2ccncc2)n1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(2-pyridin-4-ylpyrimidin-4-yl)urea?
The InChIKey is SRHOJYGQXSOCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c21-15(18-12-3-1-2-4-12)20-13-7-10-17-14(19-13)11-5-8-16-9-6-11/h5-10,12H,1-4H2,(H2,17,18,19,20,21).
What are the key properties of 1-cyclopentyl-3-(2-pyridin-4-ylpyrimidin-4-yl)urea?
1-cyclopentyl-3-(2-pyridin-4-ylpyrimidin-4-yl)urea has a molecular weight of 283.33 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(2-pyridin-4-ylpyrimidin-4-yl)urea is sourced from PubChem (CID 21404741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).