3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide

C18H20N4O5 — CID 30865597

IUPAC3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide
SMILESCc1[nH]c(=O)n(C)c(=O)c1CCC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2
InChIInChI=1S/C18H20N4O5/c1-9-12(17(25)22(3)18(26)19-9)5-7-15(23)20-11-4-6-14-13(8-11)21-16(24)10(2)27-14/h4,6,8,10H,5,7H2,1-3H3,(H,19,26)(H,20,23)(H,21,24)/t10-/m1/s1
InChIKeyBLYCMXJZDQVLEC-SNVBAGLBSA-N
MW372.38 g/mol
LogP0.67
Rot. Bonds4

About 3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide

3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide (PubChem CID 30865597) has the molecular formula C18H20N4O5 and a molecular weight of 372.38 g/mol. Its IUPAC name is 3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide.

Molecular Properties

Compound Name3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide
PubChem CID30865597
Molecular FormulaC18H20N4O5
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC Name3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide
SMILESCc1[nH]c(=O)n(C)c(=O)c1CCC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2
InChIInChI=1S/C18H20N4O5/c1-9-12(17(25)22(3)18(26)19-9)5-7-15(23)20-11-4-6-14-13(8-11)21-16(24)10(2)27-14/h4,6,8,10H,5,7H2,1-3H3,(H,19,26)(H,20,23)(H,21,24)/t10-/m1/s1
InChIKeyBLYCMXJZDQVLEC-SNVBAGLBSA-N
XLogP0.67
TPSA122.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide with MolForge

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Launch Full Analysis

Related Compounds

N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-(2-methylphenyl)propanamide
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N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide
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CID 115170648
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(propan-2-ylamino)acetamide
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N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-pyridin-3-ylpropanamide
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N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(prop-2-enylamino)acetamide
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3-(1H-benzimidazol-2-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide?
The IUPAC name of 3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide (CID 30865597) is 3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide.
What is the SMILES notation for 3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide?
The canonical SMILES for 3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide is Cc1[nH]c(=O)n(C)c(=O)c1CCC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2.
What is the InChIKey of 3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide?
The InChIKey is BLYCMXJZDQVLEC-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H20N4O5/c1-9-12(17(25)22(3)18(26)19-9)5-7-15(23)20-11-4-6-14-13(8-11)21-16(24)10(2)27-14/h4,6,8,10H,5,7H2,1-3H3,(H,19,26)(H,20,23)(H,21,24)/t10-/m1/s1.
What are the key properties of 3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide?
3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide has a molecular weight of 372.38 g/mol, XLogP of 0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide is sourced from PubChem (CID 30865597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).