4-ethyl-5-methyl-2-(piperidin-3-ylmethylamino)-1H-pyrimidin-6-one

C13H22N4O — CID 136740938

IUPAC4-ethyl-5-methyl-2-(piperidin-3-ylmethylamino)-1H-pyrimidin-6-one
SMILESCCc1nc(NCC2CCCNC2)[nH]c(=O)c1C
InChIInChI=1S/C13H22N4O/c1-3-11-9(2)12(18)17-13(16-11)15-8-10-5-4-6-14-7-10/h10,14H,3-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyIZWBEHVIFLKNPK-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.05
Rot. Bonds4

About 4-ethyl-5-methyl-2-(piperidin-3-ylmethylamino)-1H-pyrimidin-6-one

4-ethyl-5-methyl-2-(piperidin-3-ylmethylamino)-1H-pyrimidin-6-one (PubChem CID 136740938) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-ethyl-5-methyl-2-(piperidin-3-ylmethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-5-methyl-2-(piperidin-3-ylmethylamino)-1H-pyrimidin-6-one
PubChem CID136740938
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-ethyl-5-methyl-2-(piperidin-3-ylmethylamino)-1H-pyrimidin-6-one
SMILESCCc1nc(NCC2CCCNC2)[nH]c(=O)c1C
InChIInChI=1S/C13H22N4O/c1-3-11-9(2)12(18)17-13(16-11)15-8-10-5-4-6-14-7-10/h10,14H,3-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyIZWBEHVIFLKNPK-UHFFFAOYSA-N
XLogP1.05
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(piperidin-3-ylmethylamino)-4-propyl-1H-pyrimidin-6-one
CID 136740848
3-[(4-ethyl-5-methyl-1H-imidazol-2-yl)methyl]piperidine
CID 105461179
3-ethyl-1-methyl-N-(piperidin-3-ylmethyl)pyrazol-4-amine
CID 107462376
3-ethyl-1-methyl-4-nitro-N-(piperidin-3-ylmethyl)pyrazol-5-amine
CID 66016613
5,6-dimethyl-N-(piperidin-3-ylmethyl)-2-propan-2-ylpyrimidin-4-amine
CID 110277769
5-ethyl-N-(piperidin-3-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 107647794
5,6-diethyl-3-(piperidin-3-ylmethylamino)pyridazine-4-carbonitrile
CID 80515149
5-ethyl-2,3-dimethyl-N-[[(3R)-piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 95868991
6-(piperidin-3-ylmethylamino)-1,4-dihydroquinoxaline-2,3-dione
CID 80554033
2-chloro-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 71638559
N-[[(3R)-piperidin-3-yl]methyl]ethanamine
CID 86317945
4-ethoxy-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine
CID 112634792

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-2-(piperidin-3-ylmethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-5-methyl-2-(piperidin-3-ylmethylamino)-1H-pyrimidin-6-one (CID 136740938) is 4-ethyl-5-methyl-2-(piperidin-3-ylmethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-5-methyl-2-(piperidin-3-ylmethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-5-methyl-2-(piperidin-3-ylmethylamino)-1H-pyrimidin-6-one is CCc1nc(NCC2CCCNC2)[nH]c(=O)c1C.
What is the InChIKey of 4-ethyl-5-methyl-2-(piperidin-3-ylmethylamino)-1H-pyrimidin-6-one?
The InChIKey is IZWBEHVIFLKNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-11-9(2)12(18)17-13(16-11)15-8-10-5-4-6-14-7-10/h10,14H,3-8H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-ethyl-5-methyl-2-(piperidin-3-ylmethylamino)-1H-pyrimidin-6-one?
4-ethyl-5-methyl-2-(piperidin-3-ylmethylamino)-1H-pyrimidin-6-one has a molecular weight of 250.35 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-2-(piperidin-3-ylmethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136740938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).