1-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1-butyl-3-ethylurea

C14H25N5O3 — CID 9438137

IUPAC1-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1-butyl-3-ethylurea
SMILESCCCCN(C(=O)NCC)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C14H25N5O3/c1-4-7-9-18(13(21)16-6-3)10-11(15)19(8-5-2)14(22)17-12(10)20/h4-9,15H2,1-3H3,(H,16,21)(H,17,20,22)
InChIKeyWKUFBCNZJIVSQD-UHFFFAOYSA-N
MW311.39 g/mol
LogP0.86
Rot. Bonds7

About 1-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1-butyl-3-ethylurea

1-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1-butyl-3-ethylurea (PubChem CID 9438137) has the molecular formula C14H25N5O3 and a molecular weight of 311.39 g/mol. Its IUPAC name is 1-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1-butyl-3-ethylurea.

Molecular Properties

Compound Name1-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1-butyl-3-ethylurea
PubChem CID9438137
Molecular FormulaC14H25N5O3
Molecular Weight311.39 g/mol
Exact Mass311.20
IUPAC Name1-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1-butyl-3-ethylurea
SMILESCCCCN(C(=O)NCC)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C14H25N5O3/c1-4-7-9-18(13(21)16-6-3)10-11(15)19(8-5-2)14(22)17-12(10)20/h4-9,15H2,1-3H3,(H,16,21)(H,17,20,22)
InChIKeyWKUFBCNZJIVSQD-UHFFFAOYSA-N
XLogP0.86
TPSA113.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-methylbut-2-enamide
CID 30659872
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-chlorobutanamide
CID 2113269
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butylpentanamide
CID 31491993
[2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 2-methylpropanoate
CID 7782512
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4,5-dimethylthiophene-2-carboxamide
CID 31522940
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-[(2-phenylacetyl)amino]propanamide
CID 18231375
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide
CID 55517403
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(difluoromethoxy)benzamide
CID 26250944
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(4-nitrophenyl)acetamide
CID 42996309
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 27788858
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5,6-dichloropyridine-3-carboxamide
CID 4796613
1-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1-butyl-3-(2,3-dimethylphenyl)thiourea
CID 2486343

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1-butyl-3-ethylurea?
The IUPAC name of 1-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1-butyl-3-ethylurea (CID 9438137) is 1-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1-butyl-3-ethylurea.
What is the SMILES notation for 1-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1-butyl-3-ethylurea?
The canonical SMILES for 1-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1-butyl-3-ethylurea is CCCCN(C(=O)NCC)c1c(N)n(CCC)c(=O)[nH]c1=O.
What is the InChIKey of 1-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1-butyl-3-ethylurea?
The InChIKey is WKUFBCNZJIVSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O3/c1-4-7-9-18(13(21)16-6-3)10-11(15)19(8-5-2)14(22)17-12(10)20/h4-9,15H2,1-3H3,(H,16,21)(H,17,20,22).
What are the key properties of 1-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1-butyl-3-ethylurea?
1-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1-butyl-3-ethylurea has a molecular weight of 311.39 g/mol, XLogP of 0.86, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1-butyl-3-ethylurea is sourced from PubChem (CID 9438137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).