1-cyclopropyl-3-(2-cyclopropylpyrimidin-5-yl)urea

C11H14N4O — CID 71933502

IUPAC1-cyclopropyl-3-(2-cyclopropylpyrimidin-5-yl)urea
SMILESO=C(Nc1cnc(C2CC2)nc1)NC1CC1
InChIInChI=1S/C11H14N4O/c16-11(14-8-3-4-8)15-9-5-12-10(13-6-9)7-1-2-7/h5-8H,1-4H2,(H2,14,15,16)
InChIKeyHUKCNPCNQMVJTE-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.64
Rot. Bonds3

About 1-cyclopropyl-3-(2-cyclopropylpyrimidin-5-yl)urea

1-cyclopropyl-3-(2-cyclopropylpyrimidin-5-yl)urea (PubChem CID 71933502) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2-cyclopropylpyrimidin-5-yl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(2-cyclopropylpyrimidin-5-yl)urea
PubChem CID71933502
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name1-cyclopropyl-3-(2-cyclopropylpyrimidin-5-yl)urea
SMILESO=C(Nc1cnc(C2CC2)nc1)NC1CC1
InChIInChI=1S/C11H14N4O/c16-11(14-8-3-4-8)15-9-5-12-10(13-6-9)7-1-2-7/h5-8H,1-4H2,(H2,14,15,16)
InChIKeyHUKCNPCNQMVJTE-UHFFFAOYSA-N
XLogP1.64
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-pyrimidin-5-ylurea
CID 104859363
1-(2-cyclopropylpyrimidin-5-yl)-3-thiophen-3-ylurea
CID 99833511
4-[(2-methylpyrimidin-5-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122079348
1-but-2-ynyl-3-(2-cyclopropylpyrimidin-5-yl)urea
CID 99789978
1-(2-cyclopropylpyrimidin-5-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea
CID 111926319
N-(2-cyclopropylpyrimidin-5-yl)-2-hydroxycyclopentane-1-carboxamide
CID 110014513
1-cyclohexyl-3-[6-(cyclopropylamino)-3-pyridinyl]urea
CID 113009249
1-[6-(cycloheptylamino)-3-pyridinyl]-3-cyclopropylurea
CID 113014951
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
1-(2-cyclopropylpyrimidin-5-yl)-3-(1-hydroxypentan-3-yl)urea
CID 111453468
1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxypentyl)urea
CID 111474647
1-cyclopropyl-3-(6-ethoxy-3-pyridinyl)urea
CID 115687753

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2-cyclopropylpyrimidin-5-yl)urea?
The IUPAC name of 1-cyclopropyl-3-(2-cyclopropylpyrimidin-5-yl)urea (CID 71933502) is 1-cyclopropyl-3-(2-cyclopropylpyrimidin-5-yl)urea.
What is the SMILES notation for 1-cyclopropyl-3-(2-cyclopropylpyrimidin-5-yl)urea?
The canonical SMILES for 1-cyclopropyl-3-(2-cyclopropylpyrimidin-5-yl)urea is O=C(Nc1cnc(C2CC2)nc1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2-cyclopropylpyrimidin-5-yl)urea?
The InChIKey is HUKCNPCNQMVJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c16-11(14-8-3-4-8)15-9-5-12-10(13-6-9)7-1-2-7/h5-8H,1-4H2,(H2,14,15,16).
What are the key properties of 1-cyclopropyl-3-(2-cyclopropylpyrimidin-5-yl)urea?
1-cyclopropyl-3-(2-cyclopropylpyrimidin-5-yl)urea has a molecular weight of 218.26 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2-cyclopropylpyrimidin-5-yl)urea is sourced from PubChem (CID 71933502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).