1-cyclopropyl-3-pyrimidin-5-ylurea

C8H10N4O — CID 104859363

IUPAC1-cyclopropyl-3-pyrimidin-5-ylurea
SMILESO=C(Nc1cncnc1)NC1CC1
InChIInChI=1S/C8H10N4O/c13-8(11-6-1-2-6)12-7-3-9-5-10-4-7/h3-6H,1-2H2,(H2,11,12,13)
InChIKeyMXSLBMCIFSYTGY-UHFFFAOYSA-N
MW178.20 g/mol
LogP0.76
Rot. Bonds2

About 1-cyclopropyl-3-pyrimidin-5-ylurea

1-cyclopropyl-3-pyrimidin-5-ylurea (PubChem CID 104859363) has the molecular formula C8H10N4O and a molecular weight of 178.20 g/mol. Its IUPAC name is 1-cyclopropyl-3-pyrimidin-5-ylurea.

Molecular Properties

Compound Name1-cyclopropyl-3-pyrimidin-5-ylurea
PubChem CID104859363
Molecular FormulaC8H10N4O
Molecular Weight178.20 g/mol
Exact Mass178.09
IUPAC Name1-cyclopropyl-3-pyrimidin-5-ylurea
SMILESO=C(Nc1cncnc1)NC1CC1
InChIInChI=1S/C8H10N4O/c13-8(11-6-1-2-6)12-7-3-9-5-10-4-7/h3-6H,1-2H2,(H2,11,12,13)
InChIKeyMXSLBMCIFSYTGY-UHFFFAOYSA-N
XLogP0.76
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.20
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-(2-cyclopropylpyrimidin-5-yl)urea
CID 71933502
1-cyclobutyl-3-pyridin-3-ylurea
CID 115617592
4-[(2-methylpyrimidin-5-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122079348
4-(cyclopropylcarbamoylamino)-N-pyridin-3-ylbenzamide
CID 39890660
1-(4-aminophenyl)-3-cyclopropylurea
CID 25324133
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
1-cyclopropyl-3-(3,4,5-trihydroxyphenyl)urea
CID 108871924
1-(4-hydroxycyclohexyl)-3-(4-methylphenyl)urea
CID 17412691
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
1-[6-(cycloheptylamino)-3-pyridinyl]-3-cyclopropylurea
CID 113014951
1-cyclohexyl-3-[6-(cyclopropylamino)-3-pyridinyl]urea
CID 113009249
1-(4-tert-butylphenyl)-3-cyclopropylurea
CID 47127423

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-pyrimidin-5-ylurea?
The IUPAC name of 1-cyclopropyl-3-pyrimidin-5-ylurea (CID 104859363) is 1-cyclopropyl-3-pyrimidin-5-ylurea.
What is the SMILES notation for 1-cyclopropyl-3-pyrimidin-5-ylurea?
The canonical SMILES for 1-cyclopropyl-3-pyrimidin-5-ylurea is O=C(Nc1cncnc1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-pyrimidin-5-ylurea?
The InChIKey is MXSLBMCIFSYTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c13-8(11-6-1-2-6)12-7-3-9-5-10-4-7/h3-6H,1-2H2,(H2,11,12,13).
What are the key properties of 1-cyclopropyl-3-pyrimidin-5-ylurea?
1-cyclopropyl-3-pyrimidin-5-ylurea has a molecular weight of 178.20 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-pyrimidin-5-ylurea is sourced from PubChem (CID 104859363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).