4-(2-piperidin-1-ylpropylamino)-1H-pyrimidin-6-one

C12H20N4O — CID 136956230

IUPAC4-(2-piperidin-1-ylpropylamino)-1H-pyrimidin-6-one
SMILESCC(CNc1cc(=O)[nH]cn1)N1CCCCC1
InChIInChI=1S/C12H20N4O/c1-10(16-5-3-2-4-6-16)8-13-11-7-12(17)15-9-14-11/h7,9-10H,2-6,8H2,1H3,(H2,13,14,15,17)
InChIKeyMAGSIMBDDKIGBI-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.06
Rot. Bonds4

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

4-(2-piperidin-1-ylpropylamino)-1H-pyrimidin-6-one (PubChem CID 136956230) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-(2-piperidin-1-ylpropylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-piperidin-1-ylpropylamino)-1H-pyrimidin-6-one
PubChem CID136956230
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-(2-piperidin-1-ylpropylamino)-1H-pyrimidin-6-one
SMILESCC(CNc1cc(=O)[nH]cn1)N1CCCCC1
InChIInChI=1S/C12H20N4O/c1-10(16-5-3-2-4-6-16)8-13-11-7-12(17)15-9-14-11/h7,9-10H,2-6,8H2,1H3,(H2,13,14,15,17)
InChIKeyMAGSIMBDDKIGBI-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(Piperidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 136957380
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
2-[Methyl(piperidin-4-yl)amino]pyrimidin-4-ol
CID 14601273
6-piperazin-1-yl-3H-pyrimidin-4-one
CID 136102540
2-amino-6-[4-(5-fluoropentyl)piperazin-1-yl]pyrimidin-4(3H)-one
CID 136663750
4-[4-(2,2-difluoroethyl)-3-ethylpiperazin-1-yl]-1H-pyrimidin-6-one
CID 154781909
6-(4-Fluoropiperidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 164648869
4-[(1-piperidin-1-ylpropan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 135906347
N-[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]-3-sulfanylpropanamide
CID 177681121
2-[(1-propylpiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 69361416
2-(piperidin-3-ylamino)-1H-pyrimidin-6-one
CID 89543813

Frequently Asked Questions

What is the IUPAC name of 4-(2-piperidin-1-ylpropylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-piperidin-1-ylpropylamino)-1H-pyrimidin-6-one (CID 136956230) is 4-(2-piperidin-1-ylpropylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-piperidin-1-ylpropylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-piperidin-1-ylpropylamino)-1H-pyrimidin-6-one is CC(CNc1cc(=O)[nH]cn1)N1CCCCC1.
What is the InChIKey of 4-(2-piperidin-1-ylpropylamino)-1H-pyrimidin-6-one?
The InChIKey is MAGSIMBDDKIGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-10(16-5-3-2-4-6-16)8-13-11-7-12(17)15-9-14-11/h7,9-10H,2-6,8H2,1H3,(H2,13,14,15,17).
What are the key properties of 4-(2-piperidin-1-ylpropylamino)-1H-pyrimidin-6-one?
4-(2-piperidin-1-ylpropylamino)-1H-pyrimidin-6-one has a molecular weight of 236.32 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperidin-1-ylpropylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136956230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).