3-(2-tert-butylpyrimidin-5-yl)-1-cyclobutyl-1-methylurea

C14H22N4O — CID 97218500

IUPAC3-(2-tert-butylpyrimidin-5-yl)-1-cyclobutyl-1-methylurea
SMILESCN(C(=O)Nc1cnc(C(C)(C)C)nc1)C1CCC1
InChIInChI=1S/C14H22N4O/c1-14(2,3)12-15-8-10(9-16-12)17-13(19)18(4)11-6-5-7-11/h8-9,11H,5-7H2,1-4H3,(H,17,19)
InChIKeyHFLBVPIMJLPMKY-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.79
Rot. Bonds2

About 3-(2-tert-butylpyrimidin-5-yl)-1-cyclobutyl-1-methylurea

3-(2-tert-butylpyrimidin-5-yl)-1-cyclobutyl-1-methylurea (PubChem CID 97218500) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-(2-tert-butylpyrimidin-5-yl)-1-cyclobutyl-1-methylurea.

Molecular Properties

Compound Name3-(2-tert-butylpyrimidin-5-yl)-1-cyclobutyl-1-methylurea
PubChem CID97218500
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name3-(2-tert-butylpyrimidin-5-yl)-1-cyclobutyl-1-methylurea
SMILESCN(C(=O)Nc1cnc(C(C)(C)C)nc1)C1CCC1
InChIInChI=1S/C14H22N4O/c1-14(2,3)12-15-8-10(9-16-12)17-13(19)18(4)11-6-5-7-11/h8-9,11H,5-7H2,1-4H3,(H,17,19)
InChIKeyHFLBVPIMJLPMKY-UHFFFAOYSA-N
XLogP2.79
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-tert-butylpyrimidin-5-yl)-1-[2-(dimethylamino)ethyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95353157
(2S)-1-acetyl-N-(2-tert-butylpyrimidin-5-yl)pyrrolidine-2-carboxamide
CID 97314578
3-(2-tert-butylpyrimidin-5-yl)-1-(2-hydroxypropyl)-1-propan-2-ylurea
CID 111969725
9-amino-N-(2-tert-butylpyrimidin-5-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120987564
3-(4-aminophenyl)-1-cycloheptyl-1-methylurea
CID 43614356
N-(2-tert-butylpyrimidin-5-yl)piperidine-4-carboxamide;hydrochloride
CID 119305621
N-(2-tert-butylpyrimidin-5-yl)-2-pyrrolidin-2-ylacetamide
CID 119752785
N-(2-tert-butylpyrimidin-5-yl)pyrrolidine-3-carboxamide
CID 119752791
(3S)-N-(2-tert-butylpyrimidin-5-yl)-3-hydroxypyrrolidine-1-carboxamide
CID 111431545
3-amino-N-(2-tert-butylpyrimidin-5-yl)cyclopentane-1-carboxamide
CID 119752747
1-methyl-1-(1-methylpiperidin-4-yl)-3-(2-phenoxypyrimidin-5-yl)urea
CID 166280765
N-(2-tert-butylpyrimidin-5-yl)-3,3-difluorocyclohexane-1-carboxamide
CID 146121815

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butylpyrimidin-5-yl)-1-cyclobutyl-1-methylurea?
The IUPAC name of 3-(2-tert-butylpyrimidin-5-yl)-1-cyclobutyl-1-methylurea (CID 97218500) is 3-(2-tert-butylpyrimidin-5-yl)-1-cyclobutyl-1-methylurea.
What is the SMILES notation for 3-(2-tert-butylpyrimidin-5-yl)-1-cyclobutyl-1-methylurea?
The canonical SMILES for 3-(2-tert-butylpyrimidin-5-yl)-1-cyclobutyl-1-methylurea is CN(C(=O)Nc1cnc(C(C)(C)C)nc1)C1CCC1.
What is the InChIKey of 3-(2-tert-butylpyrimidin-5-yl)-1-cyclobutyl-1-methylurea?
The InChIKey is HFLBVPIMJLPMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-14(2,3)12-15-8-10(9-16-12)17-13(19)18(4)11-6-5-7-11/h8-9,11H,5-7H2,1-4H3,(H,17,19).
What are the key properties of 3-(2-tert-butylpyrimidin-5-yl)-1-cyclobutyl-1-methylurea?
3-(2-tert-butylpyrimidin-5-yl)-1-cyclobutyl-1-methylurea has a molecular weight of 262.36 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butylpyrimidin-5-yl)-1-cyclobutyl-1-methylurea is sourced from PubChem (CID 97218500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).