N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-ethyl-5-methyl-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide

C19H29N5O4 — CID 24687405

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-ethyl-5-methyl-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)c2c(CC)noc2C)c(=O)[nH]c1=O
InChIInChI=1S/C19H29N5O4/c1-6-8-9-23-16(20)15(17(25)21-19(23)27)24(10-11(3)4)18(26)14-12(5)28-22-13(14)7-2/h11H,6-10,20H2,1-5H3,(H,21,25,27)
InChIKeyNAESRSZIRVKLBN-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.08
Rot. Bonds8

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-ethyl-5-methyl-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-ethyl-5-methyl-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide (PubChem CID 24687405) 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-ethyl-5-methyl-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-ethyl-5-methyl-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide
PubChem CID24687405
Molecular FormulaC19H29N5O4
Molecular Weight391.47 g/mol
Exact Mass391.22
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-ethyl-5-methyl-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)c2c(CC)noc2C)c(=O)[nH]c1=O
InChIInChI=1S/C19H29N5O4/c1-6-8-9-23-16(20)15(17(25)21-19(23)27)24(10-11(3)4)18(26)14-12(5)28-22-13(14)7-2/h11H,6-10,20H2,1-5H3,(H,21,25,27)
InChIKeyNAESRSZIRVKLBN-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 9506625
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 24982741
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-ethyl-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 25162068
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 9465685
N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]-3-ethyl-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 24816709
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,5-dimethyl-N-(3-methylbutyl)-1,2-oxazole-4-carboxamide
CID 24686840
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,3-diethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 24982677
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-3-ethyl-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 25161893
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 25163169
(3-Ethyl-5-methylisoxazol-4-yl)(pyrrolidin-1-yl)methanone
CID 1245980
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 18206720
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 25102501

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-ethyl-5-methyl-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-ethyl-5-methyl-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide (CID 24687405) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-ethyl-5-methyl-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-ethyl-5-methyl-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-ethyl-5-methyl-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide is CCCCn1c(N)c(N(CC(C)C)C(=O)c2c(CC)noc2C)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-ethyl-5-methyl-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide?
The InChIKey is NAESRSZIRVKLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O4/c1-6-8-9-23-16(20)15(17(25)21-19(23)27)24(10-11(3)4)18(26)14-12(5)28-22-13(14)7-2/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-ethyl-5-methyl-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-ethyl-5-methyl-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 2.08, 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-ethyl-5-methyl-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 24687405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).