1-(4-methoxyphenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)urea

C17H21N5O2 — CID 122298472

IUPAC1-(4-methoxyphenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)urea
SMILESCOc1ccc(NC(=O)Nc2cnc(N3CCCCC3)nc2)cc1
InChIInChI=1S/C17H21N5O2/c1-24-15-7-5-13(6-8-15)20-17(23)21-14-11-18-16(19-12-14)22-9-3-2-4-10-22/h5-8,11-12H,2-4,9-10H2,1H3,(H2,20,21,23)
InChIKeyZXQLVPFHQGMBCL-UHFFFAOYSA-N
MW327.39 g/mol
LogP3.12
Rot. Bonds4

About 1-(4-methoxyphenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)urea

1-(4-methoxyphenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)urea (PubChem CID 122298472) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)urea
PubChem CID122298472
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name1-(4-methoxyphenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)urea
SMILESCOc1ccc(NC(=O)Nc2cnc(N3CCCCC3)nc2)cc1
InChIInChI=1S/C17H21N5O2/c1-24-15-7-5-13(6-8-15)20-17(23)21-14-11-18-16(19-12-14)22-9-3-2-4-10-22/h5-8,11-12H,2-4,9-10H2,1H3,(H2,20,21,23)
InChIKeyZXQLVPFHQGMBCL-UHFFFAOYSA-N
XLogP3.12
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250209
1-(4-tert-butylphenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)urea
CID 122298783
1-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(4-methoxyphenyl)urea
CID 122356489
1-(3,4-dimethylphenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)urea
CID 122298482
2-(2-chloro-4-methoxyphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide
CID 53164705
1-(4-methoxyphenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea
CID 90544748
1,3-bis(4-methoxyphenyl)urea
CID 139045428
5-(azepan-1-yl)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109196895
1-(3,5-difluorophenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)urea
CID 122298481
1-(4-methoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea
CID 1289713
N-(3,5-dimethoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 20959323
N-[6-(azepan-1-yl)-3-pyridinyl]-4-methoxybenzamide
CID 113015890

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)urea (CID 122298472) is 1-(4-methoxyphenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)urea is COc1ccc(NC(=O)Nc2cnc(N3CCCCC3)nc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)urea?
The InChIKey is ZXQLVPFHQGMBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-24-15-7-5-13(6-8-15)20-17(23)21-14-11-18-16(19-12-14)22-9-3-2-4-10-22/h5-8,11-12H,2-4,9-10H2,1H3,(H2,20,21,23).
What are the key properties of 1-(4-methoxyphenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)urea?
1-(4-methoxyphenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)urea has a molecular weight of 327.39 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)urea is sourced from PubChem (CID 122298472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).