1-(4-chloro-3-methoxyphenyl)-3-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]urea

C16H20ClN5O2 — CID 121137192

IUPAC1-(4-chloro-3-methoxyphenyl)-3-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]urea
SMILESCOc1cc(NC(=O)NCc2nc(C)cc(N(C)C)n2)ccc1Cl
InChIInChI=1S/C16H20ClN5O2/c1-10-7-15(22(2)3)21-14(19-10)9-18-16(23)20-11-5-6-12(17)13(8-11)24-4/h5-8H,9H2,1-4H3,(H2,18,20,23)
InChIKeyAPMYJOAJNMPMKV-UHFFFAOYSA-N
MW349.82 g/mol
LogP2.83
Rot. Bonds5

About 1-(4-chloro-3-methoxyphenyl)-3-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]urea

1-(4-chloro-3-methoxyphenyl)-3-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]urea (PubChem CID 121137192) has the molecular formula C16H20ClN5O2 and a molecular weight of 349.82 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-3-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]urea.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-3-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]urea
PubChem CID121137192
Molecular FormulaC16H20ClN5O2
Molecular Weight349.82 g/mol
Exact Mass349.13
IUPAC Name1-(4-chloro-3-methoxyphenyl)-3-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]urea
SMILESCOc1cc(NC(=O)NCc2nc(C)cc(N(C)C)n2)ccc1Cl
InChIInChI=1S/C16H20ClN5O2/c1-10-7-15(22(2)3)21-14(19-10)9-18-16(23)20-11-5-6-12(17)13(8-11)24-4/h5-8H,9H2,1-4H3,(H2,18,20,23)
InChIKeyAPMYJOAJNMPMKV-UHFFFAOYSA-N
XLogP2.83
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-chloro-3-methoxyphenyl)-3-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]urea with MolForge

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Related Compounds

1-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 91966996
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-methoxybenzamide
CID 91966955
1-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122322429
1-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-(3,4-dimethylphenyl)urea
CID 72718253
1-(4-chloro-3-methoxyphenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
CID 99841208
1-(3,4-dimethoxyphenyl)-3-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]urea
CID 122318416
1-(3,4-dimethoxyphenyl)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea
CID 121122907
3-[(4-chloro-3-methoxyphenyl)carbamoylamino]-2-methoxypropanoic acid
CID 106110647
1-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-(3,4-dimethoxyphenyl)urea
CID 121123334
2-[[(4-chloro-3-methoxyphenyl)carbamoylamino]methyl]-3-methylbutanoic acid
CID 107622487
ethyl 4-[(4-chloro-3-methoxyphenyl)carbamoylamino]benzoate
CID 23881279
3-(3-chloro-4-fluorophenyl)-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]propanamide
CID 122322348

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-3-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]urea?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-3-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]urea (CID 121137192) is 1-(4-chloro-3-methoxyphenyl)-3-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]urea.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-3-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]urea?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-3-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]urea is COc1cc(NC(=O)NCc2nc(C)cc(N(C)C)n2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-3-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]urea?
The InChIKey is APMYJOAJNMPMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O2/c1-10-7-15(22(2)3)21-14(19-10)9-18-16(23)20-11-5-6-12(17)13(8-11)24-4/h5-8H,9H2,1-4H3,(H2,18,20,23).
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-3-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]urea?
1-(4-chloro-3-methoxyphenyl)-3-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]urea has a molecular weight of 349.82 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-3-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]urea is sourced from PubChem (CID 121137192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).