1-(2-methoxyphenyl)-3-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]urea

C18H23N5O2 — CID 71807403

IUPAC1-(2-methoxyphenyl)-3-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]urea
SMILESCOc1ccccc1NC(=O)NCc1nc(C)cc(N2CCCC2)n1
InChIInChI=1S/C18H23N5O2/c1-13-11-17(23-9-5-6-10-23)22-16(20-13)12-19-18(24)21-14-7-3-4-8-15(14)25-2/h3-4,7-8,11H,5-6,9-10,12H2,1-2H3,(H2,19,21,24)
InChIKeyLSKAGFBEIYPACG-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.72
Rot. Bonds5

About 1-(2-methoxyphenyl)-3-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]urea

1-(2-methoxyphenyl)-3-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]urea (PubChem CID 71807403) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]urea
PubChem CID71807403
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name1-(2-methoxyphenyl)-3-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]urea
SMILESCOc1ccccc1NC(=O)NCc1nc(C)cc(N2CCCC2)n1
InChIInChI=1S/C18H23N5O2/c1-13-11-17(23-9-5-6-10-23)22-16(20-13)12-19-18(24)21-14-7-3-4-8-15(14)25-2/h3-4,7-8,11H,5-6,9-10,12H2,1-2H3,(H2,19,21,24)
InChIKeyLSKAGFBEIYPACG-UHFFFAOYSA-N
XLogP2.72
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-ethylphenyl)-3-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]urea
CID 122318115
1-(2,3-dimethylphenyl)-3-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]urea
CID 122317720
1-(3,4-dimethoxyphenyl)-3-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]urea
CID 122318416
1-(2-methoxyphenyl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]cyclopropane-1-carboxamide
CID 122317784
1-(2,5-difluorophenyl)-3-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]urea
CID 122318167
1-(2,4-dimethylphenyl)-3-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]urea
CID 122318117
1-(2-methoxyphenyl)-3-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]urea
CID 56921755
1-(2-methoxyphenyl)-3-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]urea
CID 122326342
1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(2-methoxyphenyl)urea
CID 121016835
N-(2-methoxyphenyl)-4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazine-1-carboxamide
CID 50944895
1-(2-methoxyphenyl)-3-[(4-piperidin-1-ylphenyl)methyl]urea
CID 94393323
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-2-(trifluoromethoxy)benzamide
CID 122317868

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]urea (CID 71807403) is 1-(2-methoxyphenyl)-3-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]urea is COc1ccccc1NC(=O)NCc1nc(C)cc(N2CCCC2)n1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]urea?
The InChIKey is LSKAGFBEIYPACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-13-11-17(23-9-5-6-10-23)22-16(20-13)12-19-18(24)21-14-7-3-4-8-15(14)25-2/h3-4,7-8,11H,5-6,9-10,12H2,1-2H3,(H2,19,21,24).
What are the key properties of 1-(2-methoxyphenyl)-3-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]urea?
1-(2-methoxyphenyl)-3-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]urea has a molecular weight of 341.42 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]urea is sourced from PubChem (CID 71807403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).