(2-methoxyphenyl) N-[(4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)methyl]carbamate

C21H21N5O4 — CID 44594071

About (2-methoxyphenyl) N-[(4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)methyl]carbamate

(2-methoxyphenyl) N-[(4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)methyl]carbamate (PubChem CID 44594071) has the molecular formula C21H21N5O4 and a molecular weight of 407.43 g/mol. Its IUPAC name is (2-methoxyphenyl) N-[(4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)methyl]carbamate.

Molecular Properties

• Compound Name: (2-methoxyphenyl) N-[(4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)methyl]carbamate
• PubChem CID: 44594071
• Molecular Formula: C21H21N5O4
• Molecular Weight: 407.43 g/mol
• Exact Mass: 407.16
• IUPAC Name: (2-methoxyphenyl) N-[(4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)methyl]carbamate
• SMILES: COc1ccccc1OC(=O)NCC1CCCn2c1nc(-c1ccncn1)cc2=O
• InChI: InChI=1S/C21H21N5O4/c1-29-17-6-2-3-7-18(17)30-21(28)23-12-14-5-4-10-26-19(27)11-16(25-20(14)26)15-8-9-22-13-24-15/h2-3,6-9,11,13-14H,4-5,10,12H2,1H3,(H,23,28)
• InChIKey: LQKMKJYGRQHBCS-UHFFFAOYSA-N
• XLogP: 2.37
• TPSA: 108.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.43
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl) N-[(4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)methyl]carbamate?

The IUPAC name of (2-methoxyphenyl) N-[(4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)methyl]carbamate (CID 44594071) is (2-methoxyphenyl) N-[(4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)methyl]carbamate.

What is the SMILES notation for (2-methoxyphenyl) N-[(4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)methyl]carbamate?

The canonical SMILES for (2-methoxyphenyl) N-[(4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)methyl]carbamate is COc1ccccc1OC(=O)NCC1CCCn2c1nc(-c1ccncn1)cc2=O.

What is the InChIKey of (2-methoxyphenyl) N-[(4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)methyl]carbamate?

The InChIKey is LQKMKJYGRQHBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O4/c1-29-17-6-2-3-7-18(17)30-21(28)23-12-14-5-4-10-26-19(27)11-16(25-20(14)26)15-8-9-22-13-24-15/h2-3,6-9,11,13-14H,4-5,10,12H2,1H3,(H,23,28).

What are the key properties of (2-methoxyphenyl) N-[(4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)methyl]carbamate?

(2-methoxyphenyl) N-[(4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)methyl]carbamate has a molecular weight of 407.43 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2-methoxyphenyl) N-[(4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)methyl]carbamate is sourced from PubChem (CID 44594071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).