1-(3,5-dimethoxyphenyl)-3-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]urea

C19H25N5O3 — CID 122352279

IUPAC1-(3,5-dimethoxyphenyl)-3-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]urea
SMILESCOc1cc(NC(=O)NCc2cc(C)nc(N3CCCC3)n2)cc(OC)c1
InChIInChI=1S/C19H25N5O3/c1-13-8-15(22-18(21-13)24-6-4-5-7-24)12-20-19(25)23-14-9-16(26-2)11-17(10-14)27-3/h8-11H,4-7,12H2,1-3H3,(H2,20,23,25)
InChIKeyTWUDMCVYNHTVKL-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.72
Rot. Bonds6

About 1-(3,5-dimethoxyphenyl)-3-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]urea

1-(3,5-dimethoxyphenyl)-3-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]urea (PubChem CID 122352279) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-3-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-3-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]urea
PubChem CID122352279
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name1-(3,5-dimethoxyphenyl)-3-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]urea
SMILESCOc1cc(NC(=O)NCc2cc(C)nc(N3CCCC3)n2)cc(OC)c1
InChIInChI=1S/C19H25N5O3/c1-13-8-15(22-18(21-13)24-6-4-5-7-24)12-20-19(25)23-14-9-16(26-2)11-17(10-14)27-3/h8-11H,4-7,12H2,1-3H3,(H2,20,23,25)
InChIKeyTWUDMCVYNHTVKL-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,5-dimethoxyphenyl)-3-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]urea
CID 91967504
1-(4-ethoxyphenyl)-3-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]urea
CID 122352293
1-(3-methylphenyl)-3-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]urea
CID 122352687
2-(4-methoxyphenyl)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 72718286
1-(1,3-benzodioxol-5-yl)-3-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]urea
CID 122352691
1-(3,5-dimethoxyphenyl)-3-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]urea
CID 121075650
1-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122352598
1-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-phenylurea
CID 91967530
N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]cyclobutanecarboxamide
CID 122352828
2-(4-methylphenoxy)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122352390
N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-2-phenoxyacetamide
CID 122352239
1-(4-tert-butylphenyl)-3-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]urea
CID 122353897

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-3-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]urea?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-3-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]urea (CID 122352279) is 1-(3,5-dimethoxyphenyl)-3-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]urea.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-3-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]urea?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-3-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]urea is COc1cc(NC(=O)NCc2cc(C)nc(N3CCCC3)n2)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-3-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]urea?
The InChIKey is TWUDMCVYNHTVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-13-8-15(22-18(21-13)24-6-4-5-7-24)12-20-19(25)23-14-9-16(26-2)11-17(10-14)27-3/h8-11H,4-7,12H2,1-3H3,(H2,20,23,25).
What are the key properties of 1-(3,5-dimethoxyphenyl)-3-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]urea?
1-(3,5-dimethoxyphenyl)-3-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]urea has a molecular weight of 371.44 g/mol, XLogP of 2.72, 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)-3-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]urea is sourced from PubChem (CID 122352279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).