1-[(1R)-2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-3-(4-methoxypyrimidin-5-yl)urea

C17H23N5O3 — CID 129486430

IUPAC1-[(1R)-2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-3-(4-methoxypyrimidin-5-yl)urea
SMILESCOc1ccc([C@H](CN(C)C)NC(=O)Nc2cncnc2OC)cc1
InChIInChI=1S/C17H23N5O3/c1-22(2)10-15(12-5-7-13(24-3)8-6-12)21-17(23)20-14-9-18-11-19-16(14)25-4/h5-9,11,15H,10H2,1-4H3,(H2,20,21,23)/t15-/m0/s1
InChIKeyULMQULJCDBLPQB-HNNXBMFYSA-N
MW345.40 g/mol
LogP1.92
Rot. Bonds7

About 1-[(1R)-2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-3-(4-methoxypyrimidin-5-yl)urea

1-[(1R)-2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-3-(4-methoxypyrimidin-5-yl)urea (PubChem CID 129486430) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-[(1R)-2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-3-(4-methoxypyrimidin-5-yl)urea.

Molecular Properties

Compound Name1-[(1R)-2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-3-(4-methoxypyrimidin-5-yl)urea
PubChem CID129486430
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name1-[(1R)-2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-3-(4-methoxypyrimidin-5-yl)urea
SMILESCOc1ccc([C@H](CN(C)C)NC(=O)Nc2cncnc2OC)cc1
InChIInChI=1S/C17H23N5O3/c1-22(2)10-15(12-5-7-13(24-3)8-6-12)21-17(23)20-14-9-18-11-19-16(14)25-4/h5-9,11,15H,10H2,1-4H3,(H2,20,21,23)/t15-/m0/s1
InChIKeyULMQULJCDBLPQB-HNNXBMFYSA-N
XLogP1.92
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-3-(5,6-dimethylpyridazin-3-yl)urea
CID 122132883
1-[(1R)-2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-3-(5-ethyl-3-methyl-1,2-oxazol-4-yl)urea
CID 124845688
1-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-3-quinolin-8-ylurea
CID 95285871
1-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-pyrimidin-4-ylurea
CID 125141657
N-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-5-propan-2-yl-1,3,4-thiadiazole-2-carboxamide
CID 167766652
1-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-3-pyridin-3-ylurea
CID 97185687
1-(2-methoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]urea
CID 78798433
1-(4-methoxypyrimidin-5-yl)-3-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]urea
CID 126793086
1-(2-methoxyphenyl)-3-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]urea
CID 100747414
1-[2-[2-(difluoromethoxy)phenyl]ethyl]-3-(4-methoxypyrimidin-5-yl)urea
CID 126779104
1-(4-methoxypyrimidin-5-yl)-3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]urea
CID 126778365
1-[(1S)-1-(4-methoxyphenyl)propyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 94024674

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-3-(4-methoxypyrimidin-5-yl)urea?
The IUPAC name of 1-[(1R)-2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-3-(4-methoxypyrimidin-5-yl)urea (CID 129486430) is 1-[(1R)-2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-3-(4-methoxypyrimidin-5-yl)urea.
What is the SMILES notation for 1-[(1R)-2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-3-(4-methoxypyrimidin-5-yl)urea?
The canonical SMILES for 1-[(1R)-2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-3-(4-methoxypyrimidin-5-yl)urea is COc1ccc([C@H](CN(C)C)NC(=O)Nc2cncnc2OC)cc1.
What is the InChIKey of 1-[(1R)-2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-3-(4-methoxypyrimidin-5-yl)urea?
The InChIKey is ULMQULJCDBLPQB-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-22(2)10-15(12-5-7-13(24-3)8-6-12)21-17(23)20-14-9-18-11-19-16(14)25-4/h5-9,11,15H,10H2,1-4H3,(H2,20,21,23)/t15-/m0/s1.
What are the key properties of 1-[(1R)-2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-3-(4-methoxypyrimidin-5-yl)urea?
1-[(1R)-2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-3-(4-methoxypyrimidin-5-yl)urea has a molecular weight of 345.40 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-3-(4-methoxypyrimidin-5-yl)urea is sourced from PubChem (CID 129486430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).