1-[[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-2-yl]methyl]-3-phenylurea

C24H28N6O — CID 133397011

IUPAC1-[[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-2-yl]methyl]-3-phenylurea
SMILESCCc1cc(N2CCCCC2CNC(=O)Nc2ccccc2)nc(-c2ccccn2)n1
InChIInChI=1S/C24H28N6O/c1-2-18-16-22(29-23(27-18)21-13-6-8-14-25-21)30-15-9-7-12-20(30)17-26-24(31)28-19-10-4-3-5-11-19/h3-6,8,10-11,13-14,16,20H,2,7,9,12,15,17H2,1H3,(H2,26,28,31)
InChIKeyVKPVHPQERHMORP-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.28
Rot. Bonds6

About 1-[[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-2-yl]methyl]-3-phenylurea

1-[[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-2-yl]methyl]-3-phenylurea (PubChem CID 133397011) has the molecular formula C24H28N6O and a molecular weight of 416.53 g/mol. Its IUPAC name is 1-[[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-2-yl]methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-2-yl]methyl]-3-phenylurea
PubChem CID133397011
Molecular FormulaC24H28N6O
Molecular Weight416.53 g/mol
Exact Mass416.23
IUPAC Name1-[[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-2-yl]methyl]-3-phenylurea
SMILESCCc1cc(N2CCCCC2CNC(=O)Nc2ccccc2)nc(-c2ccccn2)n1
InChIInChI=1S/C24H28N6O/c1-2-18-16-22(29-23(27-18)21-13-6-8-14-25-21)30-15-9-7-12-20(30)17-26-24(31)28-19-10-4-3-5-11-19/h3-6,8,10-11,13-14,16,20H,2,7,9,12,15,17H2,1H3,(H2,26,28,31)
InChIKeyVKPVHPQERHMORP-UHFFFAOYSA-N
XLogP4.28
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-2-yl]methyl]-3-phenylurea with MolForge

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Related Compounds

1-phenyl-3-[(1-pyrido[2,3-b]pyrazin-6-ylpiperidin-2-yl)methyl]urea
CID 133397025
[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 133290790
1-[[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methyl]-3-phenylurea
CID 133396975
1-[[1-(5-methyl-3-nitro-2-pyridinyl)piperidin-2-yl]methyl]-3-phenylurea
CID 133397048
1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-3-methylsulfanylazepane
CID 133394955
8-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 133298055
1-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-3-phenylurea
CID 90619144
N-[3-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]phenyl]cyclopropanecarboxamide
CID 133290845
2-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]-N-phenylpropanamide
CID 133311048
1-[6-ethyl-2-(2-fluorophenyl)pyrimidin-4-yl]piperidine-2-carboxylic acid
CID 56767423
[1-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]methylcarbamic acid
CID 67136127
1-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]-3-phenylurea
CID 113030715

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-2-yl]methyl]-3-phenylurea?
The IUPAC name of 1-[[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-2-yl]methyl]-3-phenylurea (CID 133397011) is 1-[[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-2-yl]methyl]-3-phenylurea.
What is the SMILES notation for 1-[[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-2-yl]methyl]-3-phenylurea?
The canonical SMILES for 1-[[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-2-yl]methyl]-3-phenylurea is CCc1cc(N2CCCCC2CNC(=O)Nc2ccccc2)nc(-c2ccccn2)n1.
What is the InChIKey of 1-[[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-2-yl]methyl]-3-phenylurea?
The InChIKey is VKPVHPQERHMORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O/c1-2-18-16-22(29-23(27-18)21-13-6-8-14-25-21)30-15-9-7-12-20(30)17-26-24(31)28-19-10-4-3-5-11-19/h3-6,8,10-11,13-14,16,20H,2,7,9,12,15,17H2,1H3,(H2,26,28,31).
What are the key properties of 1-[[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-2-yl]methyl]-3-phenylurea?
1-[[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-2-yl]methyl]-3-phenylurea has a molecular weight of 416.53 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-2-yl]methyl]-3-phenylurea is sourced from PubChem (CID 133397011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).