2-ethyl-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one

C15H26N4O — CID 136805318

IUPAC2-ethyl-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
SMILESCCCN(CC1CCCCN1)c1cc(=O)[nH]c(CC)n1
InChIInChI=1S/C15H26N4O/c1-3-9-19(11-12-7-5-6-8-16-12)14-10-15(20)18-13(4-2)17-14/h10,12,16H,3-9,11H2,1-2H3,(H,17,18,20)
InChIKeyIDXYYMLPAVYBSK-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.69
Rot. Bonds6

About 2-ethyl-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one

2-ethyl-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one (PubChem CID 136805318) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-ethyl-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
PubChem CID136805318
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-ethyl-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
SMILESCCCN(CC1CCCCN1)c1cc(=O)[nH]c(CC)n1
InChIInChI=1S/C15H26N4O/c1-3-9-19(11-12-7-5-6-8-16-12)14-10-15(20)18-13(4-2)17-14/h10,12,16H,3-9,11H2,1-2H3,(H,17,18,20)
InChIKeyIDXYYMLPAVYBSK-UHFFFAOYSA-N
XLogP1.69
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-6-(piperidinomethyl)-4-pyrimidinol
CID 135472863
6-(3-Aminopiperidin-1-yl)-3,4-dihydropyrimidin-4-one dihydrochloride
CID 139026488
2-isopropyl-6-[(2-methylpiperidino)methyl]-4(3H)-pyrimidinone
CID 136046574
2-[[(2S)-2-ethylpiperidin-1-yl]methyl]-4-methyl-1H-pyrimidin-6-one
CID 136896441
4-(difluoromethyl)-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one
CID 136171481
2-(1-piperazin-1-ylbutyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136171498
2-ethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 137009573
2-[(1-propylpiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 69361416
4-Hydroxy-2-methyl-6-(piperidin-1-yl)pyrimidine
CID 137000217
2-(methylamino)-N-(4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)acetamide
CID 164573864
4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one
CID 55221568
4-hydroxy-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one
CID 55221569

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one (CID 136805318) is 2-ethyl-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one is CCCN(CC1CCCCN1)c1cc(=O)[nH]c(CC)n1.
What is the InChIKey of 2-ethyl-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one?
The InChIKey is IDXYYMLPAVYBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-9-19(11-12-7-5-6-8-16-12)14-10-15(20)18-13(4-2)17-14/h10,12,16H,3-9,11H2,1-2H3,(H,17,18,20).
What are the key properties of 2-ethyl-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one?
2-ethyl-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one has a molecular weight of 278.40 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136805318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).