2-methyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1H-pyrimidin-6-one

C15H24N4O — CID 136957797

IUPAC2-methyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCc1nc(N2CCC(CN3CCCC3)CC2)cc(=O)[nH]1
InChIInChI=1S/C15H24N4O/c1-12-16-14(10-15(20)17-12)19-8-4-13(5-9-19)11-18-6-2-3-7-18/h10,13H,2-9,11H2,1H3,(H,16,17,20)
InChIKeyJYACJMLTDTUEQI-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.39
Rot. Bonds3

About 2-methyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1H-pyrimidin-6-one

2-methyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136957797) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-methyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136957797
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-methyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCc1nc(N2CCC(CN3CCCC3)CC2)cc(=O)[nH]1
InChIInChI=1S/C15H24N4O/c1-12-16-14(10-15(20)17-12)19-8-4-13(5-9-19)11-18-6-2-3-7-18/h10,13H,2-9,11H2,1H3,(H,16,17,20)
InChIKeyJYACJMLTDTUEQI-UHFFFAOYSA-N
XLogP1.39
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Chloro-2-methyl-6-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrimidin-4-ol
CID 137205367
2-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136957961
2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136957964
2-propan-2-yl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009787
2-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009789
2-propan-2-yl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009792
2-ethyl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009795
6-amino-2-(4-methylpiperidin-1-yl)pyrimidin-4(3H)-one
CID 135638182
2-(1-ethylpiperidin-4-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 22618160
4-Hydroxy-2-methyl-6-(piperidin-1-yl)pyrimidine
CID 137000217
2-amino-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one
CID 135990233
4-amino-2-piperidin-4-yl-1H-pyrimidin-6-one
CID 136077747

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1H-pyrimidin-6-one (CID 136957797) is 2-methyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1H-pyrimidin-6-one is Cc1nc(N2CCC(CN3CCCC3)CC2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is JYACJMLTDTUEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-12-16-14(10-15(20)17-12)19-8-4-13(5-9-19)11-18-6-2-3-7-18/h10,13H,2-9,11H2,1H3,(H,16,17,20).
What are the key properties of 2-methyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
2-methyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 276.38 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).