ethane;1-(3-methylphenyl)-3-(6-oxo-2-piperidin-1-yl-1H-pyrimidin-4-yl)urea

C19H27N5O2 — CID 143450162

IUPACethane;1-(3-methylphenyl)-3-(6-oxo-2-piperidin-1-yl-1H-pyrimidin-4-yl)urea
SMILESCC.Cc1cccc(NC(=O)Nc2cc(=O)[nH]c(N3CCCCC3)n2)c1
InChIInChI=1S/C17H21N5O2.C2H6/c1-12-6-5-7-13(10-12)18-17(24)20-14-11-15(23)21-16(19-14)22-8-3-2-4-9-22;1-2/h5-7,10-11H,2-4,8-9H2,1H3,(H3,18,19,20,21,23,24);1-2H3
InChIKeyFHDVLMOWLLVDPK-UHFFFAOYSA-N
MW357.46 g/mol
LogP3.74
Rot. Bonds3

About ethane;1-(3-methylphenyl)-3-(6-oxo-2-piperidin-1-yl-1H-pyrimidin-4-yl)urea

ethane;1-(3-methylphenyl)-3-(6-oxo-2-piperidin-1-yl-1H-pyrimidin-4-yl)urea (PubChem CID 143450162) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is ethane;1-(3-methylphenyl)-3-(6-oxo-2-piperidin-1-yl-1H-pyrimidin-4-yl)urea.

Molecular Properties

Compound Nameethane;1-(3-methylphenyl)-3-(6-oxo-2-piperidin-1-yl-1H-pyrimidin-4-yl)urea
PubChem CID143450162
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Nameethane;1-(3-methylphenyl)-3-(6-oxo-2-piperidin-1-yl-1H-pyrimidin-4-yl)urea
SMILESCC.Cc1cccc(NC(=O)Nc2cc(=O)[nH]c(N3CCCCC3)n2)c1
InChIInChI=1S/C17H21N5O2.C2H6/c1-12-6-5-7-13(10-12)18-17(24)20-14-11-15(23)21-16(19-14)22-8-3-2-4-9-22;1-2/h5-7,10-11H,2-4,8-9H2,1H3,(H3,18,19,20,21,23,24);1-2H3
InChIKeyFHDVLMOWLLVDPK-UHFFFAOYSA-N
XLogP3.74
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-methylphenyl)-3-(6-oxo-2-piperidin-1-yl-1H-pyrimidin-4-yl)urea?
The IUPAC name of ethane;1-(3-methylphenyl)-3-(6-oxo-2-piperidin-1-yl-1H-pyrimidin-4-yl)urea (CID 143450162) is ethane;1-(3-methylphenyl)-3-(6-oxo-2-piperidin-1-yl-1H-pyrimidin-4-yl)urea.
What is the SMILES notation for ethane;1-(3-methylphenyl)-3-(6-oxo-2-piperidin-1-yl-1H-pyrimidin-4-yl)urea?
The canonical SMILES for ethane;1-(3-methylphenyl)-3-(6-oxo-2-piperidin-1-yl-1H-pyrimidin-4-yl)urea is CC.Cc1cccc(NC(=O)Nc2cc(=O)[nH]c(N3CCCCC3)n2)c1.
What is the InChIKey of ethane;1-(3-methylphenyl)-3-(6-oxo-2-piperidin-1-yl-1H-pyrimidin-4-yl)urea?
The InChIKey is FHDVLMOWLLVDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2.C2H6/c1-12-6-5-7-13(10-12)18-17(24)20-14-11-15(23)21-16(19-14)22-8-3-2-4-9-22;1-2/h5-7,10-11H,2-4,8-9H2,1H3,(H3,18,19,20,21,23,24);1-2H3.
What are the key properties of ethane;1-(3-methylphenyl)-3-(6-oxo-2-piperidin-1-yl-1H-pyrimidin-4-yl)urea?
ethane;1-(3-methylphenyl)-3-(6-oxo-2-piperidin-1-yl-1H-pyrimidin-4-yl)urea has a molecular weight of 357.46 g/mol, XLogP of 3.74, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-methylphenyl)-3-(6-oxo-2-piperidin-1-yl-1H-pyrimidin-4-yl)urea is sourced from PubChem (CID 143450162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).