1-cyclopentyl-3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]urea

C16H20N4O2 — CID 47028533

IUPAC1-cyclopentyl-3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]urea
SMILESCc1cccn2c(=O)cc(CNC(=O)NC3CCCC3)nc12
InChIInChI=1S/C16H20N4O2/c1-11-5-4-8-20-14(21)9-13(18-15(11)20)10-17-16(22)19-12-6-2-3-7-12/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H2,17,19,22)
InChIKeyZHDAOYDLUNDYQT-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.74
Rot. Bonds3

About 1-cyclopentyl-3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]urea

1-cyclopentyl-3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]urea (PubChem CID 47028533) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]urea
PubChem CID47028533
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name1-cyclopentyl-3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]urea
SMILESCc1cccn2c(=O)cc(CNC(=O)NC3CCCC3)nc12
InChIInChI=1S/C16H20N4O2/c1-11-5-4-8-20-14(21)9-13(18-15(11)20)10-17-16(22)19-12-6-2-3-7-12/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H2,17,19,22)
InChIKeyZHDAOYDLUNDYQT-UHFFFAOYSA-N
XLogP1.74
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]urea?
The IUPAC name of 1-cyclopentyl-3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]urea (CID 47028533) is 1-cyclopentyl-3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]urea is Cc1cccn2c(=O)cc(CNC(=O)NC3CCCC3)nc12.
What is the InChIKey of 1-cyclopentyl-3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]urea?
The InChIKey is ZHDAOYDLUNDYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11-5-4-8-20-14(21)9-13(18-15(11)20)10-17-16(22)19-12-6-2-3-7-12/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H2,17,19,22).
What are the key properties of 1-cyclopentyl-3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]urea?
1-cyclopentyl-3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]urea has a molecular weight of 300.36 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]urea is sourced from PubChem (CID 47028533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).