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

C18H24N4O — CID 136683576

IUPAC4-ethyl-2-[4-(piperidin-1-ylmethyl)anilino]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(Nc2ccc(CN3CCCCC3)cc2)n1
InChIInChI=1S/C18H24N4O/c1-2-15-12-17(23)21-18(19-15)20-16-8-6-14(7-9-16)13-22-10-4-3-5-11-22/h6-9,12H,2-5,10-11,13H2,1H3,(H2,19,20,21,23)
InChIKeyDKXSGQVLITWRRE-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.06
Rot. Bonds5

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

4-ethyl-2-[4-(piperidin-1-ylmethyl)anilino]-1H-pyrimidin-6-one (PubChem CID 136683576) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 4-ethyl-2-[4-(piperidin-1-ylmethyl)anilino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-2-[4-(piperidin-1-ylmethyl)anilino]-1H-pyrimidin-6-one
PubChem CID136683576
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name4-ethyl-2-[4-(piperidin-1-ylmethyl)anilino]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(Nc2ccc(CN3CCCCC3)cc2)n1
InChIInChI=1S/C18H24N4O/c1-2-15-12-17(23)21-18(19-15)20-16-8-6-14(7-9-16)13-22-10-4-3-5-11-22/h6-9,12H,2-5,10-11,13H2,1H3,(H2,19,20,21,23)
InChIKeyDKXSGQVLITWRRE-UHFFFAOYSA-N
XLogP3.06
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylanilino)-4-propyl-1H-pyrimidin-6-one
CID 135506181
4-ethyl-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one
CID 136779267
2-[4-[(3-methylpiperidin-1-yl)methyl]anilino]-4-propan-2-yl-1H-pyrimidin-6-one
CID 136683625
2-(4-ethylanilino)-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one
CID 136778681
6-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]-1H-benzimidazol-2-amine
CID 110377051
2-[4-(pyrrolidin-1-ylmethyl)anilino]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136683639
4,6-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidin-2-amine
CID 108776126
4-ethyl-2-(3-hydroxyanilino)-1H-pyrimidin-6-one
CID 135763936
2-[4-[4-(2-methylpropyl)piperazin-1-yl]anilino]-4-propyl-1H-pyrimidin-6-one
CID 136779421
2-(4-chloroanilino)-4-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one
CID 135682172
6-chloro-2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidin-4-amine
CID 108776133
4-(propan-2-ylsulfanylmethyl)-2-[4-(propylsulfanylmethyl)anilino]-1H-pyrimidin-6-one
CID 136683757

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[4-(piperidin-1-ylmethyl)anilino]-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-2-[4-(piperidin-1-ylmethyl)anilino]-1H-pyrimidin-6-one (CID 136683576) is 4-ethyl-2-[4-(piperidin-1-ylmethyl)anilino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-2-[4-(piperidin-1-ylmethyl)anilino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-2-[4-(piperidin-1-ylmethyl)anilino]-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(Nc2ccc(CN3CCCCC3)cc2)n1.
What is the InChIKey of 4-ethyl-2-[4-(piperidin-1-ylmethyl)anilino]-1H-pyrimidin-6-one?
The InChIKey is DKXSGQVLITWRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-2-15-12-17(23)21-18(19-15)20-16-8-6-14(7-9-16)13-22-10-4-3-5-11-22/h6-9,12H,2-5,10-11,13H2,1H3,(H2,19,20,21,23).
What are the key properties of 4-ethyl-2-[4-(piperidin-1-ylmethyl)anilino]-1H-pyrimidin-6-one?
4-ethyl-2-[4-(piperidin-1-ylmethyl)anilino]-1H-pyrimidin-6-one has a molecular weight of 312.42 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[4-(piperidin-1-ylmethyl)anilino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136683576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).