1-(4,6-dimethoxypyrimidin-2-yl)-3-hexylurea

C13H22N4O3 — CID 27255463

IUPAC1-(4,6-dimethoxypyrimidin-2-yl)-3-hexylurea
SMILESCCCCCCNC(=O)Nc1nc(OC)cc(OC)n1
InChIInChI=1S/C13H22N4O3/c1-4-5-6-7-8-14-13(18)17-12-15-10(19-2)9-11(16-12)20-3/h9H,4-8H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyTUMOSPXRQZRXLH-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.20
Rot. Bonds8

About 1-(4,6-dimethoxypyrimidin-2-yl)-3-hexylurea

1-(4,6-dimethoxypyrimidin-2-yl)-3-hexylurea (PubChem CID 27255463) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-(4,6-dimethoxypyrimidin-2-yl)-3-hexylurea.

Molecular Properties

Compound Name1-(4,6-dimethoxypyrimidin-2-yl)-3-hexylurea
PubChem CID27255463
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name1-(4,6-dimethoxypyrimidin-2-yl)-3-hexylurea
SMILESCCCCCCNC(=O)Nc1nc(OC)cc(OC)n1
InChIInChI=1S/C13H22N4O3/c1-4-5-6-7-8-14-13(18)17-12-15-10(19-2)9-11(16-12)20-3/h9H,4-8H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyTUMOSPXRQZRXLH-UHFFFAOYSA-N
XLogP2.20
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-decyl-4,6-dimethoxypyrimidin-2-amine
CID 115355214
1-dodecyl-3-(4-methoxyphenyl)urea
CID 172727415
1-(4,6-dimethoxypyrimidin-2-yl)-3-hydroxyurea
CID 134822106
1-pentyl-3-(3,4,5-trimethoxyphenyl)urea
CID 51290149
N-(4,6-dimethoxypyrimidin-2-yl)-3-oxobutanamide
CID 117058957
1-butyl-3-(3,5-dimethoxyphenyl)urea
CID 47103671
(2S)-2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)hexanamide
CID 114052893
1-[2-(4-methoxyphenyl)ethyl]-3-octadecylurea
CID 139817703
N-(4-chloro-6-methoxypyrimidin-2-yl)-3-(ethylamino)propanamide
CID 114052879
1-butyl-3-octylurea
CID 17269600
1-dodecyl-3-phenylurea
CID 3697946
5-(octadecylcarbamoylamino)benzene-1,3-dicarboxylic acid
CID 58559835

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)-3-hexylurea?
The IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)-3-hexylurea (CID 27255463) is 1-(4,6-dimethoxypyrimidin-2-yl)-3-hexylurea.
What is the SMILES notation for 1-(4,6-dimethoxypyrimidin-2-yl)-3-hexylurea?
The canonical SMILES for 1-(4,6-dimethoxypyrimidin-2-yl)-3-hexylurea is CCCCCCNC(=O)Nc1nc(OC)cc(OC)n1.
What is the InChIKey of 1-(4,6-dimethoxypyrimidin-2-yl)-3-hexylurea?
The InChIKey is TUMOSPXRQZRXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-4-5-6-7-8-14-13(18)17-12-15-10(19-2)9-11(16-12)20-3/h9H,4-8H2,1-3H3,(H2,14,15,16,17,18).
What are the key properties of 1-(4,6-dimethoxypyrimidin-2-yl)-3-hexylurea?
1-(4,6-dimethoxypyrimidin-2-yl)-3-hexylurea has a molecular weight of 282.34 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxypyrimidin-2-yl)-3-hexylurea is sourced from PubChem (CID 27255463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).