N-butyl-N-(2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

C11H17N3O4 — CID 61448160

IUPACN-butyl-N-(2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCCCCN(CCO)C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H17N3O4/c1-2-3-4-14(5-6-15)10(17)8-7-12-11(18)13-9(8)16/h7,15H,2-6H2,1H3,(H2,12,13,16,18)
InChIKeyREAYBTCBNPUJFB-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.70
Rot. Bonds6

About N-butyl-N-(2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-butyl-N-(2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 61448160) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is N-butyl-N-(2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-butyl-N-(2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID61448160
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC NameN-butyl-N-(2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCCCCN(CCO)C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H17N3O4/c1-2-3-4-14(5-6-15)10(17)8-7-12-11(18)13-9(8)16/h7,15H,2-6H2,1H3,(H2,12,13,16,18)
InChIKeyREAYBTCBNPUJFB-UHFFFAOYSA-N
XLogP-0.70
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-2,4-dioxo-N-propyl-1H-pyrimidine-5-carboxamide
CID 79667775
N,N-dibutyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717584
2,4-dioxo-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrimidine-5-carboxamide
CID 79701435
N-[2-(2-hydroxyethoxy)ethyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 114243378
4-amino-N-butyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide
CID 61107667
N-butyl-N-(2-hydroxyethyl)-4-methylthiophene-3-carboxamide
CID 79808500
N-ethyl-N-(3-hydroxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 115771425
2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-methylamino]acetic acid
CID 28773328
2-[hexyl(2-hydroxyethyl)carbamoyl]benzoic acid
CID 60949991
N-butyl-2,3,4-trifluoro-N-(2-hydroxyethyl)benzamide
CID 79749456
N-butyl-N-(2-chloroethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 114039284
3-amino-5-bromo-N-butyl-N-(2-hydroxyethyl)-2-methylbenzamide
CID 107872372

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-butyl-N-(2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 61448160) is N-butyl-N-(2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-butyl-N-(2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-butyl-N-(2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is CCCCN(CCO)C(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-butyl-N-(2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is REAYBTCBNPUJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-2-3-4-14(5-6-15)10(17)8-7-12-11(18)13-9(8)16/h7,15H,2-6H2,1H3,(H2,12,13,16,18).
What are the key properties of N-butyl-N-(2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-butyl-N-(2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 255.27 g/mol, XLogP of -0.70, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 61448160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).