[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]urea

C17H22N6O — CID 133344995

IUPAC[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]urea
SMILESCCc1cc(N2CCC(NC(N)=O)CC2)nc(-c2ccncc2)n1
InChIInChI=1S/C17H22N6O/c1-2-13-11-15(22-16(20-13)12-3-7-19-8-4-12)23-9-5-14(6-10-23)21-17(18)24/h3-4,7-8,11,14H,2,5-6,9-10H2,1H3,(H3,18,21,24)
InChIKeySDZOQBLKZBKPFF-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.74
Rot. Bonds4

About [1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]urea

[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]urea (PubChem CID 133344995) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is [1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]urea.

Molecular Properties

Compound Name[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]urea
PubChem CID133344995
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]urea
SMILESCCc1cc(N2CCC(NC(N)=O)CC2)nc(-c2ccncc2)n1
InChIInChI=1S/C17H22N6O/c1-2-13-11-15(22-16(20-13)12-3-7-19-8-4-12)23-9-5-14(6-10-23)21-17(18)24/h3-4,7-8,11,14H,2,5-6,9-10H2,1H3,(H3,18,21,24)
InChIKeySDZOQBLKZBKPFF-UHFFFAOYSA-N
XLogP1.74
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 133349733
1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-3-amine
CID 110277725
1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-N-phenylpyrrolidin-3-amine
CID 133294122
3-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]propanamide
CID 133294209
6-ethyl-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-pyridin-4-ylpyrimidin-4-amine
CID 133358047
[4-amino-1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanol
CID 133314479
4-ethyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-pyridin-4-ylpyrimidine
CID 133294994
[(3S)-1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 95337185
1-[2-(4-chlorophenyl)-6-ethylpyrimidin-4-yl]piperidine-4-carboxylic acid
CID 56767841
5-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 133294642
4-ethyl-2-pyridin-4-yl-6-[3-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine
CID 133294152
4-ethyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-pyridin-4-ylpyrimidine
CID 133295060

Frequently Asked Questions

What is the IUPAC name of [1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]urea?
The IUPAC name of [1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]urea (CID 133344995) is [1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]urea.
What is the SMILES notation for [1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]urea?
The canonical SMILES for [1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]urea is CCc1cc(N2CCC(NC(N)=O)CC2)nc(-c2ccncc2)n1.
What is the InChIKey of [1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]urea?
The InChIKey is SDZOQBLKZBKPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-2-13-11-15(22-16(20-13)12-3-7-19-8-4-12)23-9-5-14(6-10-23)21-17(18)24/h3-4,7-8,11,14H,2,5-6,9-10H2,1H3,(H3,18,21,24).
What are the key properties of [1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]urea?
[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]urea has a molecular weight of 326.40 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]urea is sourced from PubChem (CID 133344995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).