1-[(3,5-dimethoxyphenyl)methyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea

C19H25N5O3 — CID 55922079

IUPAC1-[(3,5-dimethoxyphenyl)methyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
SMILESCOc1cc(CNC(=O)NC2CCN(c3ncccn3)CC2)cc(OC)c1
InChIInChI=1S/C19H25N5O3/c1-26-16-10-14(11-17(12-16)27-2)13-22-19(25)23-15-4-8-24(9-5-15)18-20-6-3-7-21-18/h3,6-7,10-12,15H,4-5,8-9,13H2,1-2H3,(H2,22,23,25)
InChIKeyFCLKWYSUQUPAMY-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.96
Rot. Bonds6

About 1-[(3,5-dimethoxyphenyl)methyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea

1-[(3,5-dimethoxyphenyl)methyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea (PubChem CID 55922079) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-[(3,5-dimethoxyphenyl)methyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[(3,5-dimethoxyphenyl)methyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
PubChem CID55922079
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name1-[(3,5-dimethoxyphenyl)methyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
SMILESCOc1cc(CNC(=O)NC2CCN(c3ncccn3)CC2)cc(OC)c1
InChIInChI=1S/C19H25N5O3/c1-26-16-10-14(11-17(12-16)27-2)13-22-19(25)23-15-4-8-24(9-5-15)18-20-6-3-7-21-18/h3,6-7,10-12,15H,4-5,8-9,13H2,1-2H3,(H2,22,23,25)
InChIKeyFCLKWYSUQUPAMY-UHFFFAOYSA-N
XLogP1.96
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(3,5-dimethoxyphenyl)methyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea with MolForge

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Related Compounds

1-(1-pyrimidin-2-ylpiperidin-4-yl)-3-[(4-pyrrolidin-1-ylphenyl)methyl]urea
CID 55746567
1-[(3-hydroxy-5-methoxyphenyl)methyl]-3-(1-methylpiperidin-4-yl)urea
CID 143176546
1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 53498127
1-[1-(2,4-dimethoxyphenyl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 55746439
1-[(3-ethoxy-4-methoxyphenyl)methyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
CID 136525855
1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 55740254
2,6-dimethoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 110712543
1-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]-3-[(3-methoxyphenyl)methyl]urea
CID 91911073
1-[(3S)-3-phenylbutyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 52511655
tert-butyl 4-[(3-methoxyphenyl)methylcarbamoylamino]piperidine-1-carboxylate
CID 108898443
1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea
CID 854988
N-[(4-methoxyphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 27516864

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethoxyphenyl)methyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea?
The IUPAC name of 1-[(3,5-dimethoxyphenyl)methyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea (CID 55922079) is 1-[(3,5-dimethoxyphenyl)methyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[(3,5-dimethoxyphenyl)methyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea?
The canonical SMILES for 1-[(3,5-dimethoxyphenyl)methyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea is COc1cc(CNC(=O)NC2CCN(c3ncccn3)CC2)cc(OC)c1.
What is the InChIKey of 1-[(3,5-dimethoxyphenyl)methyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea?
The InChIKey is FCLKWYSUQUPAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-26-16-10-14(11-17(12-16)27-2)13-22-19(25)23-15-4-8-24(9-5-15)18-20-6-3-7-21-18/h3,6-7,10-12,15H,4-5,8-9,13H2,1-2H3,(H2,22,23,25).
What are the key properties of 1-[(3,5-dimethoxyphenyl)methyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea?
1-[(3,5-dimethoxyphenyl)methyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea has a molecular weight of 371.44 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethoxyphenyl)methyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea is sourced from PubChem (CID 55922079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).