2-(cyclopropylmethyl)-1H-pyrimidin-6-one

C8H10N2O — CID 70520786

IUPAC2-(cyclopropylmethyl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(CC2CC2)[nH]1
InChIInChI=1S/C8H10N2O/c11-8-3-4-9-7(10-8)5-6-1-2-6/h3-4,6H,1-2,5H2,(H,9,10,11)
InChIKeyAWCRCBXKXJTZFA-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.72
Rot. Bonds2

About 2-(cyclopropylmethyl)-1H-pyrimidin-6-one

2-(cyclopropylmethyl)-1H-pyrimidin-6-one (PubChem CID 70520786) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-1H-pyrimidin-6-one
PubChem CID70520786
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name2-(cyclopropylmethyl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(CC2CC2)[nH]1
InChIInChI=1S/C8H10N2O/c11-8-3-4-9-7(10-8)5-6-1-2-6/h3-4,6H,1-2,5H2,(H,9,10,11)
InChIKeyAWCRCBXKXJTZFA-UHFFFAOYSA-N
XLogP0.72
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(cyclopropylmethyl)-1H-pyrimidin-6-one (CID 70520786) is 2-(cyclopropylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(cyclopropylmethyl)-1H-pyrimidin-6-one is O=c1ccnc(CC2CC2)[nH]1.
What is the InChIKey of 2-(cyclopropylmethyl)-1H-pyrimidin-6-one?
The InChIKey is AWCRCBXKXJTZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c11-8-3-4-9-7(10-8)5-6-1-2-6/h3-4,6H,1-2,5H2,(H,9,10,11).
What are the key properties of 2-(cyclopropylmethyl)-1H-pyrimidin-6-one?
2-(cyclopropylmethyl)-1H-pyrimidin-6-one has a molecular weight of 150.18 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 70520786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).