2-methyl-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one

C12H20N4O — CID 136956373

IUPAC2-methyl-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one
SMILESCc1nc(NCCN2CCCCC2)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O/c1-10-14-11(9-12(17)15-10)13-5-8-16-6-3-2-4-7-16/h9H,2-8H2,1H3,(H2,13,14,15,17)
InChIKeyOZTTVLDIFJOQQA-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.98
Rot. Bonds4

About 2-methyl-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one

2-methyl-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one (PubChem CID 136956373) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-methyl-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one
PubChem CID136956373
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-methyl-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one
SMILESCc1nc(NCCN2CCCCC2)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O/c1-10-14-11(9-12(17)15-10)13-5-8-16-6-3-2-4-7-16/h9H,2-8H2,1H3,(H2,13,14,15,17)
InChIKeyOZTTVLDIFJOQQA-UHFFFAOYSA-N
XLogP0.98
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-6-(piperidinomethyl)-4-pyrimidinol
CID 135472863
2-amino-6-[4-(5-fluoropentyl)piperazin-1-yl]pyrimidin-4(3H)-one
CID 136663750
2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136957807
2-ethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 137009573
4-hydroxy-2-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one
CID 22618178
2-[(4-Methyl-1-piperazinyl)methyl]-4(3h)-pyrimidinone
CID 67216931
2,3-Dimethyl-6-piperidin-1-ylpyrimidin-4-one
CID 67744616
4-Hydroxy-2-methyl-6-(piperidin-1-yl)pyrimidine
CID 137000217
1,2-Dimethylpyrimidin-4-one;piperidine
CID 161227604
2-(methylamino)-N-(4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)acetamide
CID 164573864
[(2E)-2-[3-amino-1-(methylamino)-3-oxoprop-1-enyl]imino-2-piperidin-1-ylethylidene]tungsten
CID 172189411
N-(4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)acetamide
CID 175761646

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one (CID 136956373) is 2-methyl-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one is Cc1nc(NCCN2CCCCC2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one?
The InChIKey is OZTTVLDIFJOQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-10-14-11(9-12(17)15-10)13-5-8-16-6-3-2-4-7-16/h9H,2-8H2,1H3,(H2,13,14,15,17).
What are the key properties of 2-methyl-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one?
2-methyl-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one has a molecular weight of 236.32 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136956373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).