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

C18H23N5O2 — CID 122356489

IUPAC1-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2c(C)nc(N3CCCC3)nc2C)cc1
InChIInChI=1S/C18H23N5O2/c1-12-16(13(2)20-17(19-12)23-10-4-5-11-23)22-18(24)21-14-6-8-15(25-3)9-7-14/h6-9H,4-5,10-11H2,1-3H3,(H2,21,22,24)
InChIKeyVFYHWCIATFTSGL-UHFFFAOYSA-N
MW341.42 g/mol
LogP3.35
Rot. Bonds4

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

1-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(4-methoxyphenyl)urea (PubChem CID 122356489) 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-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(4-methoxyphenyl)urea
PubChem CID122356489
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name1-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2c(C)nc(N3CCCC3)nc2C)cc1
InChIInChI=1S/C18H23N5O2/c1-12-16(13(2)20-17(19-12)23-10-4-5-11-23)22-18(24)21-14-6-8-15(25-3)9-7-14/h6-9H,4-5,10-11H2,1-3H3,(H2,21,22,24)
InChIKeyVFYHWCIATFTSGL-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-(3,4-dimethylphenyl)-3-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)urea
CID 122356497
1-(4-methoxyphenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)urea
CID 122298472
1-(3-chloro-4-methylphenyl)-3-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)urea
CID 71807352
1-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(2-methoxyphenyl)urea
CID 71807357
1-[3-(difluoromethoxy)phenyl]-3-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)urea
CID 122356536
1-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-3-(4-methoxy-2-methylphenyl)urea
CID 122357108
1,3-bis(4-methoxyphenyl)urea
CID 139045428
N-[4-(azepan-1-yl)phenyl]-2-[(4-methoxyphenyl)carbamoylamino]acetamide
CID 17463645
N-(4-methoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250209
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3,4-dimethoxybenzamide
CID 122356456
1-(4-methoxyphenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea
CID 90544748
1-(2-chloro-4-methylphenyl)-3-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)urea
CID 122356509

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(4-methoxyphenyl)urea (CID 122356489) is 1-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)Nc2c(C)nc(N3CCCC3)nc2C)cc1.
What is the InChIKey of 1-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(4-methoxyphenyl)urea?
The InChIKey is VFYHWCIATFTSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-12-16(13(2)20-17(19-12)23-10-4-5-11-23)22-18(24)21-14-6-8-15(25-3)9-7-14/h6-9H,4-5,10-11H2,1-3H3,(H2,21,22,24).
What are the key properties of 1-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(4-methoxyphenyl)urea?
1-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(4-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-(4-methoxyphenyl)urea is sourced from PubChem (CID 122356489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).