1-(2-tert-butylpyrimidin-5-yl)-3-[(1-methylsulfanylcyclopropyl)methyl]urea

C14H22N4OS — CID 119050388

IUPAC1-(2-tert-butylpyrimidin-5-yl)-3-[(1-methylsulfanylcyclopropyl)methyl]urea
SMILESCSC1(CNC(=O)Nc2cnc(C(C)(C)C)nc2)CC1
InChIInChI=1S/C14H22N4OS/c1-13(2,3)11-15-7-10(8-16-11)18-12(19)17-9-14(20-4)5-6-14/h7-8H,5-6,9H2,1-4H3,(H2,17,18,19)
InChIKeyUSXSYFURZSBIJR-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.79
Rot. Bonds4

About 1-(2-tert-butylpyrimidin-5-yl)-3-[(1-methylsulfanylcyclopropyl)methyl]urea

1-(2-tert-butylpyrimidin-5-yl)-3-[(1-methylsulfanylcyclopropyl)methyl]urea (PubChem CID 119050388) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-(2-tert-butylpyrimidin-5-yl)-3-[(1-methylsulfanylcyclopropyl)methyl]urea.

Molecular Properties

Compound Name1-(2-tert-butylpyrimidin-5-yl)-3-[(1-methylsulfanylcyclopropyl)methyl]urea
PubChem CID119050388
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name1-(2-tert-butylpyrimidin-5-yl)-3-[(1-methylsulfanylcyclopropyl)methyl]urea
SMILESCSC1(CNC(=O)Nc2cnc(C(C)(C)C)nc2)CC1
InChIInChI=1S/C14H22N4OS/c1-13(2,3)11-15-7-10(8-16-11)18-12(19)17-9-14(20-4)5-6-14/h7-8H,5-6,9H2,1-4H3,(H2,17,18,19)
InChIKeyUSXSYFURZSBIJR-UHFFFAOYSA-N
XLogP2.79
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-tert-butylpyrimidin-5-yl)-3-(2-ethyl-2-hydroxybutyl)urea
CID 111103718
1-(2-tert-butylpyrimidin-5-yl)-3-[(2R)-2-hydroxy-3-methylbutyl]urea
CID 97215845
1-(2-tert-butylpyrimidin-5-yl)-3-(2-hydroxy-4-methylpentyl)urea
CID 111431544
1-(2-tert-butylpyrimidin-5-yl)-3-(2-morpholin-4-yl-2-oxoethyl)urea
CID 127751996
1-(2-tert-butylpyrimidin-5-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea
CID 71926143
N-[(2R)-butan-2-yl]-3-[(2-tert-butylpyrimidin-5-yl)carbamoylamino]propanamide
CID 95300949
1-(2-tert-butylpyrimidin-5-yl)-3-[3-(hydroxymethyl)pentan-3-yl]urea
CID 111926186
1-(2-tert-butylpyrimidin-5-yl)-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 75373143
2-amino-N-(2-tert-butylpyrimidin-5-yl)-2-methylpropanamide
CID 119305616
1-(2-tert-butylpyrimidin-5-yl)-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 111424877
6-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridin-3-amine
CID 130506214
N-(2-tert-butylpyrimidin-5-yl)piperidine-4-carboxamide;hydrochloride
CID 119305621

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylpyrimidin-5-yl)-3-[(1-methylsulfanylcyclopropyl)methyl]urea?
The IUPAC name of 1-(2-tert-butylpyrimidin-5-yl)-3-[(1-methylsulfanylcyclopropyl)methyl]urea (CID 119050388) is 1-(2-tert-butylpyrimidin-5-yl)-3-[(1-methylsulfanylcyclopropyl)methyl]urea.
What is the SMILES notation for 1-(2-tert-butylpyrimidin-5-yl)-3-[(1-methylsulfanylcyclopropyl)methyl]urea?
The canonical SMILES for 1-(2-tert-butylpyrimidin-5-yl)-3-[(1-methylsulfanylcyclopropyl)methyl]urea is CSC1(CNC(=O)Nc2cnc(C(C)(C)C)nc2)CC1.
What is the InChIKey of 1-(2-tert-butylpyrimidin-5-yl)-3-[(1-methylsulfanylcyclopropyl)methyl]urea?
The InChIKey is USXSYFURZSBIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-13(2,3)11-15-7-10(8-16-11)18-12(19)17-9-14(20-4)5-6-14/h7-8H,5-6,9H2,1-4H3,(H2,17,18,19).
What are the key properties of 1-(2-tert-butylpyrimidin-5-yl)-3-[(1-methylsulfanylcyclopropyl)methyl]urea?
1-(2-tert-butylpyrimidin-5-yl)-3-[(1-methylsulfanylcyclopropyl)methyl]urea has a molecular weight of 294.42 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylpyrimidin-5-yl)-3-[(1-methylsulfanylcyclopropyl)methyl]urea is sourced from PubChem (CID 119050388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).