N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,5-dimethyl-N-(3-methylbutyl)-1,2-oxazole-4-carboxamide

C19H29N5O4 — CID 24686840

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,5-dimethyl-N-(3-methylbutyl)-1,2-oxazole-4-carboxamide
SMILESCCCCn1c(N)c(N(CCC(C)C)C(=O)c2c(C)noc2C)c(=O)[nH]c1=O
InChIInChI=1S/C19H29N5O4/c1-6-7-9-24-16(20)15(17(25)21-19(24)27)23(10-8-11(2)3)18(26)14-12(4)22-28-13(14)5/h11H,6-10,20H2,1-5H3,(H,21,25,27)
InChIKeyYQUPQRFICHAWSM-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.22
Rot. Bonds8

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,5-dimethyl-N-(3-methylbutyl)-1,2-oxazole-4-carboxamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,5-dimethyl-N-(3-methylbutyl)-1,2-oxazole-4-carboxamide (PubChem CID 24686840) has the molecular formula C19H29N5O4 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,5-dimethyl-N-(3-methylbutyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,5-dimethyl-N-(3-methylbutyl)-1,2-oxazole-4-carboxamide
PubChem CID24686840
Molecular FormulaC19H29N5O4
Molecular Weight391.47 g/mol
Exact Mass391.22
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,5-dimethyl-N-(3-methylbutyl)-1,2-oxazole-4-carboxamide
SMILESCCCCn1c(N)c(N(CCC(C)C)C(=O)c2c(C)noc2C)c(=O)[nH]c1=O
InChIInChI=1S/C19H29N5O4/c1-6-7-9-24-16(20)15(17(25)21-19(24)27)23(10-8-11(2)3)18(26)14-12(4)22-28-13(14)5/h11H,6-10,20H2,1-5H3,(H,21,25,27)
InChIKeyYQUPQRFICHAWSM-UHFFFAOYSA-N
XLogP2.22
TPSA127.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,5-dimethyl-N-(3-methylbutyl)-1,2-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,5-dimethyl-N-(3-methylbutyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,5-dimethyl-N-(3-methylbutyl)-1,2-oxazole-4-carboxamide (CID 24686840) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,5-dimethyl-N-(3-methylbutyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,5-dimethyl-N-(3-methylbutyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,5-dimethyl-N-(3-methylbutyl)-1,2-oxazole-4-carboxamide is CCCCn1c(N)c(N(CCC(C)C)C(=O)c2c(C)noc2C)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,5-dimethyl-N-(3-methylbutyl)-1,2-oxazole-4-carboxamide?
The InChIKey is YQUPQRFICHAWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O4/c1-6-7-9-24-16(20)15(17(25)21-19(24)27)23(10-8-11(2)3)18(26)14-12(4)22-28-13(14)5/h11H,6-10,20H2,1-5H3,(H,21,25,27).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,5-dimethyl-N-(3-methylbutyl)-1,2-oxazole-4-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,5-dimethyl-N-(3-methylbutyl)-1,2-oxazole-4-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,5-dimethyl-N-(3-methylbutyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 24686840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).