2-(piperidin-3-ylmethylamino)-4-propyl-1H-pyrimidin-6-one

C13H22N4O — CID 136740848

IUPAC2-(piperidin-3-ylmethylamino)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(NCC2CCCNC2)n1
InChIInChI=1S/C13H22N4O/c1-2-4-11-7-12(18)17-13(16-11)15-9-10-5-3-6-14-8-10/h7,10,14H,2-6,8-9H2,1H3,(H2,15,16,17,18)
InChIKeyFSPFAEDQRBSISB-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.13
Rot. Bonds5

About 2-(piperidin-3-ylmethylamino)-4-propyl-1H-pyrimidin-6-one

2-(piperidin-3-ylmethylamino)-4-propyl-1H-pyrimidin-6-one (PubChem CID 136740848) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-(piperidin-3-ylmethylamino)-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(piperidin-3-ylmethylamino)-4-propyl-1H-pyrimidin-6-one
PubChem CID136740848
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-(piperidin-3-ylmethylamino)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(NCC2CCCNC2)n1
InChIInChI=1S/C13H22N4O/c1-2-4-11-7-12(18)17-13(16-11)15-9-10-5-3-6-14-8-10/h7,10,14H,2-6,8-9H2,1H3,(H2,15,16,17,18)
InChIKeyFSPFAEDQRBSISB-UHFFFAOYSA-N
XLogP1.13
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2R)-oxolan-2-yl]methylamino]-4-propyl-1H-pyrimidin-6-one
CID 136900705
2-(4-methylphenyl)-N-(piperidin-3-ylmethyl)-6-propylpyrimidin-4-amine
CID 56768328
4-ethyl-5-methyl-2-(piperidin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136740938
2-methyl-4-propyl-1H-pyrimidin-6-one
CID 135624230
2-methyl-4-[(piperidin-3-ylamino)methyl]-1H-pyrimidin-6-one
CID 136740718
3-ethyl-1-methyl-N-(piperidin-3-ylmethyl)pyrazol-4-amine
CID 107462376
N-[[(3R)-piperidin-3-yl]methyl]ethanamine
CID 86317945
2-phenyl-N-piperidin-3-yl-6-propylpyrimidin-4-amine
CID 56768428
2-ethyl-4-[(piperidin-3-ylamino)methyl]-1H-pyrimidin-6-one
CID 136740724
2-chloro-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 71638559
6-(piperidin-3-ylmethylamino)-1,4-dihydroquinoxaline-2,3-dione
CID 80554033
4-ethoxy-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine
CID 112634792

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-3-ylmethylamino)-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(piperidin-3-ylmethylamino)-4-propyl-1H-pyrimidin-6-one (CID 136740848) is 2-(piperidin-3-ylmethylamino)-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(piperidin-3-ylmethylamino)-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(piperidin-3-ylmethylamino)-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(NCC2CCCNC2)n1.
What is the InChIKey of 2-(piperidin-3-ylmethylamino)-4-propyl-1H-pyrimidin-6-one?
The InChIKey is FSPFAEDQRBSISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-2-4-11-7-12(18)17-13(16-11)15-9-10-5-3-6-14-8-10/h7,10,14H,2-6,8-9H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-(piperidin-3-ylmethylamino)-4-propyl-1H-pyrimidin-6-one?
2-(piperidin-3-ylmethylamino)-4-propyl-1H-pyrimidin-6-one has a molecular weight of 250.35 g/mol, XLogP of 1.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-3-ylmethylamino)-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136740848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).