2-piperidin-1-yl-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one

C13H22N4O — CID 114206295

IUPAC2-piperidin-1-yl-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
SMILESCC(C)NCc1cnc(N2CCCCC2)[nH]c1=O
InChIInChI=1S/C13H22N4O/c1-10(2)14-8-11-9-15-13(16-12(11)18)17-6-4-3-5-7-17/h9-10,14H,3-8H2,1-2H3,(H,15,16,18)
InChIKeyCAJXHYPNPAVOGP-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.26
Rot. Bonds4

About 2-piperidin-1-yl-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one

2-piperidin-1-yl-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one (PubChem CID 114206295) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-piperidin-1-yl-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-piperidin-1-yl-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
PubChem CID114206295
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-piperidin-1-yl-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
SMILESCC(C)NCc1cnc(N2CCCCC2)[nH]c1=O
InChIInChI=1S/C13H22N4O/c1-10(2)14-8-11-9-15-13(16-12(11)18)17-6-4-3-5-7-17/h9-10,14H,3-8H2,1-2H3,(H,15,16,18)
InChIKeyCAJXHYPNPAVOGP-UHFFFAOYSA-N
XLogP1.26
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[Methyl(piperidin-4-yl)amino]pyrimidin-4-ol
CID 14601273
5-methyl-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 15175751
2-[(1-propylpiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 69361416
2-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one
CID 117224315
1,6-Dihydro-1-methyl-2-[(1-methylethyl)amino]-5-pyrimidinecarboxamide
CID 135727044
2-[(3R)-3-aminopiperidin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 136882938
2-[(3R)-3-aminopiperidin-1-yl]-5-(3,3-dimethylbut-1-ynyl)-1H-pyrimidin-6-one
CID 141111974
2-[(3R)-3-aminopiperidin-1-yl]-5-prop-1-ynyl-1H-pyrimidin-6-one
CID 141111980
2-[ethyl(piperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 164106120
2-amino-5-methyl-3-[(4-methyl-1-propan-2-ylpiperazin-2-yl)methyl]-1H-pyrimidin-3-ium-6-one
CID 169986060
2,7-Dimethyl-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one
CID 170054695
1,3-Dimethyl-5-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrimidine-2,4-dione
CID 28717347

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-piperidin-1-yl-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one (CID 114206295) is 2-piperidin-1-yl-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-piperidin-1-yl-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-piperidin-1-yl-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one is CC(C)NCc1cnc(N2CCCCC2)[nH]c1=O.
What is the InChIKey of 2-piperidin-1-yl-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one?
The InChIKey is CAJXHYPNPAVOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10(2)14-8-11-9-15-13(16-12(11)18)17-6-4-3-5-7-17/h9-10,14H,3-8H2,1-2H3,(H,15,16,18).
What are the key properties of 2-piperidin-1-yl-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one?
2-piperidin-1-yl-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one has a molecular weight of 250.35 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 114206295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).