3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrimidin-4-one

C14H17N5O — CID 126944789

IUPAC3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrimidin-4-one
SMILESO=c1ccncn1CC1CCN(c2cnccn2)CC1
InChIInChI=1S/C14H17N5O/c20-14-1-4-16-11-19(14)10-12-2-7-18(8-3-12)13-9-15-5-6-17-13/h1,4-6,9,11-12H,2-3,7-8,10H2
InChIKeyACLHJBIVKAMMIC-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.95
Rot. Bonds3

About 3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrimidin-4-one

3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrimidin-4-one (PubChem CID 126944789) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrimidin-4-one
PubChem CID126944789
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrimidin-4-one
SMILESO=c1ccncn1CC1CCN(c2cnccn2)CC1
InChIInChI=1S/C14H17N5O/c20-14-1-4-16-11-19(14)10-12-2-7-18(8-3-12)13-9-15-5-6-17-13/h1,4-6,9,11-12H,2-3,7-8,10H2
InChIKeyACLHJBIVKAMMIC-UHFFFAOYSA-N
XLogP0.95
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrimidin-4-one with MolForge

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Related Compounds

3-(cyclohexylmethyl)pyrimidin-4-one
CID 115696955
3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944822
3-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126945070
3-methyl-2-[4-[(6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]pyrido[3,4-d]pyrimidin-4-one
CID 126945090
3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944705
3-[(1-phthalazin-1-ylpiperidin-4-yl)methyl]pyrimidin-4-one
CID 126944881
3-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944997
(1-pyrazin-2-ylpiperidin-4-yl)methanamine;dihydrochloride
CID 56965638
3-[[1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944940
3-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944879
3-[[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126945001
3-[[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944941

Frequently Asked Questions

What is the IUPAC name of 3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrimidin-4-one?
The IUPAC name of 3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrimidin-4-one (CID 126944789) is 3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrimidin-4-one is O=c1ccncn1CC1CCN(c2cnccn2)CC1.
What is the InChIKey of 3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrimidin-4-one?
The InChIKey is ACLHJBIVKAMMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c20-14-1-4-16-11-19(14)10-12-2-7-18(8-3-12)13-9-15-5-6-17-13/h1,4-6,9,11-12H,2-3,7-8,10H2.
What are the key properties of 3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrimidin-4-one?
3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrimidin-4-one has a molecular weight of 271.32 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 126944789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).