1-(2,4-dioxo-1H-pyrimidin-5-yl)-3-(3-methylbutyl)urea

C10H16N4O3 — CID 20929985

IUPAC1-(2,4-dioxo-1H-pyrimidin-5-yl)-3-(3-methylbutyl)urea
SMILESCC(C)CCNC(=O)Nc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H16N4O3/c1-6(2)3-4-11-9(16)13-7-5-12-10(17)14-8(7)15/h5-6H,3-4H2,1-2H3,(H2,11,13,16)(H2,12,14,15,17)
InChIKeyRLBVATPHRRNPOF-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.23
Rot. Bonds4

About 1-(2,4-dioxo-1H-pyrimidin-5-yl)-3-(3-methylbutyl)urea

1-(2,4-dioxo-1H-pyrimidin-5-yl)-3-(3-methylbutyl)urea (PubChem CID 20929985) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-(2,4-dioxo-1H-pyrimidin-5-yl)-3-(3-methylbutyl)urea.

Molecular Properties

Compound Name1-(2,4-dioxo-1H-pyrimidin-5-yl)-3-(3-methylbutyl)urea
PubChem CID20929985
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name1-(2,4-dioxo-1H-pyrimidin-5-yl)-3-(3-methylbutyl)urea
SMILESCC(C)CCNC(=O)Nc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H16N4O3/c1-6(2)3-4-11-9(16)13-7-5-12-10(17)14-8(7)15/h5-6H,3-4H2,1-2H3,(H2,11,13,16)(H2,12,14,15,17)
InChIKeyRLBVATPHRRNPOF-UHFFFAOYSA-N
XLogP0.23
TPSA106.85 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

6-Amino-5-(butylamino)-1-(2-methylpropyl)-2,4(1H,3H)-pyrimidinedione
CID 3813450
6-Amino-5-(butylamino)-1-propylpyrimidine-2,4(1H,3H)-dione
CID 2398074
6-Amino-1-butyl-5-(propylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2363721
6-Amino-1-butyl-5-[(2-methylpropyl)amino]-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2384333
6-Amino-1-butyl-5-(ethylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2393504
N-hexyl-5-methylamino-2,4-dioxo-pyrimidine-1-carboxamide
CID 71654964
6-Amino-1-(2-methylpropyl)-5-[(2-methylpropyl)amino]-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2366802
N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]-2-(methylamino)-N-(2-methylpropyl)acetamide
CID 2110810
6-Amino-1-butyl-5-[(3-methylbutyl)amino]-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2341172
6-Amino-1-butyl-5-butylamino-1H-pyrimidine-2,4-dione
CID 2341171
N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-methylbutanamide
CID 2228116
6-Amino-1-butyl-5-[methyl(3-methylbutyl)amino]pyrimidine-2,4-dione
CID 25467217

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dioxo-1H-pyrimidin-5-yl)-3-(3-methylbutyl)urea?
The IUPAC name of 1-(2,4-dioxo-1H-pyrimidin-5-yl)-3-(3-methylbutyl)urea (CID 20929985) is 1-(2,4-dioxo-1H-pyrimidin-5-yl)-3-(3-methylbutyl)urea.
What is the SMILES notation for 1-(2,4-dioxo-1H-pyrimidin-5-yl)-3-(3-methylbutyl)urea?
The canonical SMILES for 1-(2,4-dioxo-1H-pyrimidin-5-yl)-3-(3-methylbutyl)urea is CC(C)CCNC(=O)Nc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 1-(2,4-dioxo-1H-pyrimidin-5-yl)-3-(3-methylbutyl)urea?
The InChIKey is RLBVATPHRRNPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-6(2)3-4-11-9(16)13-7-5-12-10(17)14-8(7)15/h5-6H,3-4H2,1-2H3,(H2,11,13,16)(H2,12,14,15,17).
What are the key properties of 1-(2,4-dioxo-1H-pyrimidin-5-yl)-3-(3-methylbutyl)urea?
1-(2,4-dioxo-1H-pyrimidin-5-yl)-3-(3-methylbutyl)urea has a molecular weight of 240.26 g/mol, XLogP of 0.23, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dioxo-1H-pyrimidin-5-yl)-3-(3-methylbutyl)urea is sourced from PubChem (CID 20929985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).