1-[1-(5-methoxy-6-oxo-1H-pyrimidin-2-yl)cyclopentyl]-3-pyrimidin-2-ylurea

C15H18N6O3 — CID 167895667

IUPAC1-[1-(5-methoxy-6-oxo-1H-pyrimidin-2-yl)cyclopentyl]-3-pyrimidin-2-ylurea
SMILESCOc1cnc(C2(NC(=O)Nc3ncccn3)CCCC2)[nH]c1=O
InChIInChI=1S/C15H18N6O3/c1-24-10-9-18-12(19-11(10)22)15(5-2-3-6-15)21-14(23)20-13-16-7-4-8-17-13/h4,7-9H,2-3,5-6H2,1H3,(H,18,19,22)(H2,16,17,20,21,23)
InChIKeyGWXPMWARXBMGFW-UHFFFAOYSA-N
MW330.35 g/mol
LogP1.16
Rot. Bonds4

About 1-[1-(5-methoxy-6-oxo-1H-pyrimidin-2-yl)cyclopentyl]-3-pyrimidin-2-ylurea

1-[1-(5-methoxy-6-oxo-1H-pyrimidin-2-yl)cyclopentyl]-3-pyrimidin-2-ylurea (PubChem CID 167895667) has the molecular formula C15H18N6O3 and a molecular weight of 330.35 g/mol. Its IUPAC name is 1-[1-(5-methoxy-6-oxo-1H-pyrimidin-2-yl)cyclopentyl]-3-pyrimidin-2-ylurea.

Molecular Properties

Compound Name1-[1-(5-methoxy-6-oxo-1H-pyrimidin-2-yl)cyclopentyl]-3-pyrimidin-2-ylurea
PubChem CID167895667
Molecular FormulaC15H18N6O3
Molecular Weight330.35 g/mol
Exact Mass330.14
IUPAC Name1-[1-(5-methoxy-6-oxo-1H-pyrimidin-2-yl)cyclopentyl]-3-pyrimidin-2-ylurea
SMILESCOc1cnc(C2(NC(=O)Nc3ncccn3)CCCC2)[nH]c1=O
InChIInChI=1S/C15H18N6O3/c1-24-10-9-18-12(19-11(10)22)15(5-2-3-6-15)21-14(23)20-13-16-7-4-8-17-13/h4,7-9H,2-3,5-6H2,1H3,(H,18,19,22)(H2,16,17,20,21,23)
InChIKeyGWXPMWARXBMGFW-UHFFFAOYSA-N
XLogP1.16
TPSA121.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-methoxy-6-oxo-1H-pyrimidin-2-yl)cyclopentyl]-3-pyrimidin-2-ylurea?
The IUPAC name of 1-[1-(5-methoxy-6-oxo-1H-pyrimidin-2-yl)cyclopentyl]-3-pyrimidin-2-ylurea (CID 167895667) is 1-[1-(5-methoxy-6-oxo-1H-pyrimidin-2-yl)cyclopentyl]-3-pyrimidin-2-ylurea.
What is the SMILES notation for 1-[1-(5-methoxy-6-oxo-1H-pyrimidin-2-yl)cyclopentyl]-3-pyrimidin-2-ylurea?
The canonical SMILES for 1-[1-(5-methoxy-6-oxo-1H-pyrimidin-2-yl)cyclopentyl]-3-pyrimidin-2-ylurea is COc1cnc(C2(NC(=O)Nc3ncccn3)CCCC2)[nH]c1=O.
What is the InChIKey of 1-[1-(5-methoxy-6-oxo-1H-pyrimidin-2-yl)cyclopentyl]-3-pyrimidin-2-ylurea?
The InChIKey is GWXPMWARXBMGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O3/c1-24-10-9-18-12(19-11(10)22)15(5-2-3-6-15)21-14(23)20-13-16-7-4-8-17-13/h4,7-9H,2-3,5-6H2,1H3,(H,18,19,22)(H2,16,17,20,21,23).
What are the key properties of 1-[1-(5-methoxy-6-oxo-1H-pyrimidin-2-yl)cyclopentyl]-3-pyrimidin-2-ylurea?
1-[1-(5-methoxy-6-oxo-1H-pyrimidin-2-yl)cyclopentyl]-3-pyrimidin-2-ylurea has a molecular weight of 330.35 g/mol, XLogP of 1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-methoxy-6-oxo-1H-pyrimidin-2-yl)cyclopentyl]-3-pyrimidin-2-ylurea is sourced from PubChem (CID 167895667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).