3-(2-amino-6-oxo-1H-pyrimidin-4-yl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]benzamide

C19H24N4O3 — CID 137001737

IUPAC3-(2-amino-6-oxo-1H-pyrimidin-4-yl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]benzamide
SMILESCOCC1(CNC(=O)c2cccc(-c3cc(=O)[nH]c(N)n3)c2)CCCC1
InChIInChI=1S/C19H24N4O3/c1-26-12-19(7-2-3-8-19)11-21-17(25)14-6-4-5-13(9-14)15-10-16(24)23-18(20)22-15/h4-6,9-10H,2-3,7-8,11-12H2,1H3,(H,21,25)(H3,20,22,23,24)
InChIKeyBVEBAWXGIBWUOQ-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.96
Rot. Bonds6

About 3-(2-amino-6-oxo-1H-pyrimidin-4-yl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]benzamide

3-(2-amino-6-oxo-1H-pyrimidin-4-yl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]benzamide (PubChem CID 137001737) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-(2-amino-6-oxo-1H-pyrimidin-4-yl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]benzamide.

Molecular Properties

Compound Name3-(2-amino-6-oxo-1H-pyrimidin-4-yl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]benzamide
PubChem CID137001737
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name3-(2-amino-6-oxo-1H-pyrimidin-4-yl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]benzamide
SMILESCOCC1(CNC(=O)c2cccc(-c3cc(=O)[nH]c(N)n3)c2)CCCC1
InChIInChI=1S/C19H24N4O3/c1-26-12-19(7-2-3-8-19)11-21-17(25)14-6-4-5-13(9-14)15-10-16(24)23-18(20)22-15/h4-6,9-10H,2-3,7-8,11-12H2,1H3,(H,21,25)(H3,20,22,23,24)
InChIKeyBVEBAWXGIBWUOQ-UHFFFAOYSA-N
XLogP1.96
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-6-oxo-1H-pyrimidin-4-yl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]benzamide?
The IUPAC name of 3-(2-amino-6-oxo-1H-pyrimidin-4-yl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]benzamide (CID 137001737) is 3-(2-amino-6-oxo-1H-pyrimidin-4-yl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]benzamide.
What is the SMILES notation for 3-(2-amino-6-oxo-1H-pyrimidin-4-yl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]benzamide?
The canonical SMILES for 3-(2-amino-6-oxo-1H-pyrimidin-4-yl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]benzamide is COCC1(CNC(=O)c2cccc(-c3cc(=O)[nH]c(N)n3)c2)CCCC1.
What is the InChIKey of 3-(2-amino-6-oxo-1H-pyrimidin-4-yl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]benzamide?
The InChIKey is BVEBAWXGIBWUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-26-12-19(7-2-3-8-19)11-21-17(25)14-6-4-5-13(9-14)15-10-16(24)23-18(20)22-15/h4-6,9-10H,2-3,7-8,11-12H2,1H3,(H,21,25)(H3,20,22,23,24).
What are the key properties of 3-(2-amino-6-oxo-1H-pyrimidin-4-yl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]benzamide?
3-(2-amino-6-oxo-1H-pyrimidin-4-yl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]benzamide has a molecular weight of 356.43 g/mol, XLogP of 1.96, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-6-oxo-1H-pyrimidin-4-yl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]benzamide is sourced from PubChem (CID 137001737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).