4-[1-(cyclopropylmethyl)piperidin-2-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one

C18H22N4O — CID 136881700

IUPAC4-[1-(cyclopropylmethyl)piperidin-2-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
SMILESO=c1cc(C2CCCCN2CC2CC2)nc(-c2ccncc2)[nH]1
InChIInChI=1S/C18H22N4O/c23-17-11-15(20-18(21-17)14-6-8-19-9-7-14)16-3-1-2-10-22(16)12-13-4-5-13/h6-9,11,13,16H,1-5,10,12H2,(H,20,21,23)
InChIKeyJBRRQUSJVVJKQH-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.77
Rot. Bonds4

About 4-[1-(cyclopropylmethyl)piperidin-2-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one

4-[1-(cyclopropylmethyl)piperidin-2-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one (PubChem CID 136881700) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-[1-(cyclopropylmethyl)piperidin-2-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1-(cyclopropylmethyl)piperidin-2-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
PubChem CID136881700
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name4-[1-(cyclopropylmethyl)piperidin-2-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
SMILESO=c1cc(C2CCCCN2CC2CC2)nc(-c2ccncc2)[nH]1
InChIInChI=1S/C18H22N4O/c23-17-11-15(20-18(21-17)14-6-8-19-9-7-14)16-3-1-2-10-22(16)12-13-4-5-13/h6-9,11,13,16H,1-5,10,12H2,(H,20,21,23)
InChIKeyJBRRQUSJVVJKQH-UHFFFAOYSA-N
XLogP2.77
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclopropylmethyl)piperidin-2-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[1-(cyclopropylmethyl)piperidin-2-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one (CID 136881700) is 4-[1-(cyclopropylmethyl)piperidin-2-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1-(cyclopropylmethyl)piperidin-2-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1-(cyclopropylmethyl)piperidin-2-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one is O=c1cc(C2CCCCN2CC2CC2)nc(-c2ccncc2)[nH]1.
What is the InChIKey of 4-[1-(cyclopropylmethyl)piperidin-2-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one?
The InChIKey is JBRRQUSJVVJKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c23-17-11-15(20-18(21-17)14-6-8-19-9-7-14)16-3-1-2-10-22(16)12-13-4-5-13/h6-9,11,13,16H,1-5,10,12H2,(H,20,21,23).
What are the key properties of 4-[1-(cyclopropylmethyl)piperidin-2-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one?
4-[1-(cyclopropylmethyl)piperidin-2-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one has a molecular weight of 310.40 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclopropylmethyl)piperidin-2-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136881700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).