2-ethyl-4-[(piperidin-3-ylamino)methyl]-1H-pyrimidin-6-one

C12H20N4O — CID 136740724

IUPAC2-ethyl-4-[(piperidin-3-ylamino)methyl]-1H-pyrimidin-6-one
SMILESCCc1nc(CNC2CCCNC2)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O/c1-2-11-15-10(6-12(17)16-11)8-14-9-4-3-5-13-7-9/h6,9,13-14H,2-5,7-8H2,1H3,(H,15,16,17)
InChIKeyILSWTJLBAUBSIK-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.17
Rot. Bonds4

About 2-ethyl-4-[(piperidin-3-ylamino)methyl]-1H-pyrimidin-6-one

2-ethyl-4-[(piperidin-3-ylamino)methyl]-1H-pyrimidin-6-one (PubChem CID 136740724) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-ethyl-4-[(piperidin-3-ylamino)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[(piperidin-3-ylamino)methyl]-1H-pyrimidin-6-one
PubChem CID136740724
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-ethyl-4-[(piperidin-3-ylamino)methyl]-1H-pyrimidin-6-one
SMILESCCc1nc(CNC2CCCNC2)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O/c1-2-11-15-10(6-12(17)16-11)8-14-9-4-3-5-13-7-9/h6,9,13-14H,2-5,7-8H2,1H3,(H,15,16,17)
InChIKeyILSWTJLBAUBSIK-UHFFFAOYSA-N
XLogP0.17
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[(piperidin-3-ylamino)methyl]-1H-pyrimidin-6-one
CID 136740718
2-ethyl-4-[ethyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136978140
4-[(cyclopropylamino)methyl]-2-(2-methoxypropyl)-1H-pyrimidin-6-one
CID 136852170
(3R)-N-(pyrazin-2-ylmethyl)piperidin-3-amine
CID 71636732
4-[(cyclopropylamino)methyl]-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136852169
N-(pyridin-2-ylmethyl)piperidin-3-amine;trihydrochloride
CID 75994063
(3R)-N-[(2-chloropyrimidin-4-yl)methyl]piperidin-3-amine;hydrochloride
CID 71640488
4-ethyl-2-[[(2R)-2-methylpiperazin-1-yl]methyl]-1H-pyrimidin-6-one
CID 137078249
N-ethylpiperidin-3-amine
CID 21278340
2-ethyl-4-[4-(methylamino)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136958171
2-(piperidin-3-ylmethylamino)-4-propyl-1H-pyrimidin-6-one
CID 136740848
N-[(6-methylnaphthalen-2-yl)methyl]piperidin-3-amine
CID 115118209

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(piperidin-3-ylamino)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[(piperidin-3-ylamino)methyl]-1H-pyrimidin-6-one (CID 136740724) is 2-ethyl-4-[(piperidin-3-ylamino)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[(piperidin-3-ylamino)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[(piperidin-3-ylamino)methyl]-1H-pyrimidin-6-one is CCc1nc(CNC2CCCNC2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[(piperidin-3-ylamino)methyl]-1H-pyrimidin-6-one?
The InChIKey is ILSWTJLBAUBSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-11-15-10(6-12(17)16-11)8-14-9-4-3-5-13-7-9/h6,9,13-14H,2-5,7-8H2,1H3,(H,15,16,17).
What are the key properties of 2-ethyl-4-[(piperidin-3-ylamino)methyl]-1H-pyrimidin-6-one?
2-ethyl-4-[(piperidin-3-ylamino)methyl]-1H-pyrimidin-6-one has a molecular weight of 236.32 g/mol, XLogP of 0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(piperidin-3-ylamino)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136740724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).