1-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(2-methoxyphenyl)urea

C18H23N5O2 — CID 71807357

IUPAC1-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1c(C)nc(N2CCCC2)nc1C
InChIInChI=1S/C18H23N5O2/c1-12-16(13(2)20-17(19-12)23-10-6-7-11-23)22-18(24)21-14-8-4-5-9-15(14)25-3/h4-5,8-9H,6-7,10-11H2,1-3H3,(H2,21,22,24)
InChIKeyFMHNCQQZGCELFF-UHFFFAOYSA-N
MW341.42 g/mol
LogP3.35
Rot. Bonds4

About 1-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(2-methoxyphenyl)urea

1-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(2-methoxyphenyl)urea (PubChem CID 71807357) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(2-methoxyphenyl)urea
PubChem CID71807357
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name1-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1c(C)nc(N2CCCC2)nc1C
InChIInChI=1S/C18H23N5O2/c1-12-16(13(2)20-17(19-12)23-10-6-7-11-23)22-18(24)21-14-8-4-5-9-15(14)25-3/h4-5,8-9H,6-7,10-11H2,1-3H3,(H2,21,22,24)
InChIKeyFMHNCQQZGCELFF-UHFFFAOYSA-N
XLogP3.35
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(4-methoxyphenyl)urea
CID 122356489
1-(5-chloro-2-methoxyphenyl)-3-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]urea
CID 122357104
1-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-3-(2-methylphenyl)urea
CID 91968661
1-(3,4-dimethylphenyl)-3-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)urea
CID 122356497
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3,4-dimethoxybenzamide
CID 122356456
1-[3-(difluoromethoxy)phenyl]-3-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)urea
CID 122356536
N-(2-methoxyphenyl)-4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazine-1-carboxamide
CID 50944895
1-(2-methoxyphenyl)-3-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]urea
CID 56921755
1-[5-(azepane-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)urea
CID 16897842
1-(2-methoxyphenyl)-3-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]urea
CID 71807403
1-(2-methoxyphenyl)-3-[(4-piperidin-1-ylphenyl)methyl]urea
CID 94393323
1-(2-methoxyphenyl)-3-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]urea
CID 122326342

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(2-methoxyphenyl)urea (CID 71807357) is 1-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)Nc1c(C)nc(N2CCCC2)nc1C.
What is the InChIKey of 1-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(2-methoxyphenyl)urea?
The InChIKey is FMHNCQQZGCELFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-12-16(13(2)20-17(19-12)23-10-6-7-11-23)22-18(24)21-14-8-4-5-9-15(14)25-3/h4-5,8-9H,6-7,10-11H2,1-3H3,(H2,21,22,24).
What are the key properties of 1-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(2-methoxyphenyl)urea?
1-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(2-methoxyphenyl)urea has a molecular weight of 341.42 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 71807357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).