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

C13H22N4O — CID 135906347

IUPAC4-[(1-piperidin-1-ylpropan-2-ylamino)methyl]-1H-pyrimidin-6-one
SMILESCC(CN1CCCCC1)NCc1cc(=O)[nH]cn1
InChIInChI=1S/C13H22N4O/c1-11(9-17-5-3-2-4-6-17)14-8-12-7-13(18)16-10-15-12/h7,10-11,14H,2-6,8-9H2,1H3,(H,15,16,18)
InChIKeyCQCFAVQNMMXFOQ-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.73
Rot. Bonds5

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

4-[(1-piperidin-1-ylpropan-2-ylamino)methyl]-1H-pyrimidin-6-one (PubChem CID 135906347) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-[(1-piperidin-1-ylpropan-2-ylamino)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-piperidin-1-ylpropan-2-ylamino)methyl]-1H-pyrimidin-6-one
PubChem CID135906347
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-[(1-piperidin-1-ylpropan-2-ylamino)methyl]-1H-pyrimidin-6-one
SMILESCC(CN1CCCCC1)NCc1cc(=O)[nH]cn1
InChIInChI=1S/C13H22N4O/c1-11(9-17-5-3-2-4-6-17)14-8-12-7-13(18)16-10-15-12/h7,10-11,14H,2-6,8-9H2,1H3,(H,15,16,18)
InChIKeyCQCFAVQNMMXFOQ-UHFFFAOYSA-N
XLogP0.73
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-6-(piperidinomethyl)-4-pyrimidinol
CID 135472863
N-[(6-hydroxy-4-pyrimidinyl)methyl]-2-(1-isopropyl-4-piperidinyl)acetamide
CID 136217050
N-[(6-hydroxy-4-pyrimidinyl)methyl]-2-(1-propyl-4-piperidinyl)acetamide
CID 136217117
2-(4-aminopiperidin-1-yl)-6-methylpyrimidin-4(3H)-one dihydrochloride
CID 137017015
2-(3-Aminopiperidin-1-yl)-6-methyl-3,4-dihydropyrimidin-4-one dihydrochloride
CID 137154967
6-(3-Aminopiperidin-1-yl)-3,4-dihydropyrimidin-4-one dihydrochloride
CID 139026488
N-cyclopentyl-2-(4-methyl-6-oxopyrimidin-1(6H)-yl)acetamide
CID 45496937
2-[[(2S)-2-ethylpiperidin-1-yl]methyl]-4-methyl-1H-pyrimidin-6-one
CID 136896441
6-(Difluoromethyl)-3-(piperidin-3-yl)-3,4-dihydropyrimidin-4-one
CID 126857695
4-(difluoromethyl)-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one
CID 136171481
N-cyclohexyl-2-(4-methyl-6-oxopyrimidin-1(6H)-yl)acetamide
CID 45534909
4-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
CID 136323058

Frequently Asked Questions

What is the IUPAC name of 4-[(1-piperidin-1-ylpropan-2-ylamino)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-piperidin-1-ylpropan-2-ylamino)methyl]-1H-pyrimidin-6-one (CID 135906347) is 4-[(1-piperidin-1-ylpropan-2-ylamino)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-piperidin-1-ylpropan-2-ylamino)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-piperidin-1-ylpropan-2-ylamino)methyl]-1H-pyrimidin-6-one is CC(CN1CCCCC1)NCc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[(1-piperidin-1-ylpropan-2-ylamino)methyl]-1H-pyrimidin-6-one?
The InChIKey is CQCFAVQNMMXFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-11(9-17-5-3-2-4-6-17)14-8-12-7-13(18)16-10-15-12/h7,10-11,14H,2-6,8-9H2,1H3,(H,15,16,18).
What are the key properties of 4-[(1-piperidin-1-ylpropan-2-ylamino)methyl]-1H-pyrimidin-6-one?
4-[(1-piperidin-1-ylpropan-2-ylamino)methyl]-1H-pyrimidin-6-one has a molecular weight of 250.35 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-piperidin-1-ylpropan-2-ylamino)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135906347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).