1-(5-chloro-2-methoxyphenyl)-3-[[2-(dimethylamino)pyrimidin-4-yl]methyl]urea

C15H18ClN5O2 — CID 91967706

IUPAC1-(5-chloro-2-methoxyphenyl)-3-[[2-(dimethylamino)pyrimidin-4-yl]methyl]urea
SMILESCOc1ccc(Cl)cc1NC(=O)NCc1ccnc(N(C)C)n1
InChIInChI=1S/C15H18ClN5O2/c1-21(2)14-17-7-6-11(19-14)9-18-15(22)20-12-8-10(16)4-5-13(12)23-3/h4-8H,9H2,1-3H3,(H2,18,20,22)
InChIKeyIPVSOBRTXPEPHB-UHFFFAOYSA-N
MW335.80 g/mol
LogP2.53
Rot. Bonds5

About 1-(5-chloro-2-methoxyphenyl)-3-[[2-(dimethylamino)pyrimidin-4-yl]methyl]urea

1-(5-chloro-2-methoxyphenyl)-3-[[2-(dimethylamino)pyrimidin-4-yl]methyl]urea (PubChem CID 91967706) has the molecular formula C15H18ClN5O2 and a molecular weight of 335.80 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-[[2-(dimethylamino)pyrimidin-4-yl]methyl]urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-[[2-(dimethylamino)pyrimidin-4-yl]methyl]urea
PubChem CID91967706
Molecular FormulaC15H18ClN5O2
Molecular Weight335.80 g/mol
Exact Mass335.11
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-[[2-(dimethylamino)pyrimidin-4-yl]methyl]urea
SMILESCOc1ccc(Cl)cc1NC(=O)NCc1ccnc(N(C)C)n1
InChIInChI=1S/C15H18ClN5O2/c1-21(2)14-17-7-6-11(19-14)9-18-15(22)20-12-8-10(16)4-5-13(12)23-3/h4-8H,9H2,1-3H3,(H2,18,20,22)
InChIKeyIPVSOBRTXPEPHB-UHFFFAOYSA-N
XLogP2.53
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.80
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-methoxybenzamide
CID 91967691
1-(4-chlorophenyl)-3-[[2-(dimethylamino)pyrimidin-4-yl]methyl]urea
CID 91967701
1-(5-chloro-2-methoxyphenyl)-3-(cyanomethyl)urea
CID 108864649
1-(5-chloro-2-methoxyphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea
CID 50830288
methyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]acetate
CID 108875604
1-(5-acetyl-2-methoxyphenyl)-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]urea
CID 72889978
1-(5-chloro-2-methoxyphenyl)-3-[(6-hydroxy-1,4-dithiepan-6-yl)methyl]urea
CID 146080453
1-(5-chloro-2-methoxyphenyl)-3-[(1-ethylpyrazol-4-yl)methyl]urea
CID 35276225
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]acetamide
CID 122354210
N-(5-chloro-2-methoxyphenyl)-2-(dipropylamino)pyrimidine-4-carboxamide
CID 109312912
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea
CID 122302630
1-(5-chloro-2-methoxyphenyl)-3-[3-(diethylamino)propyl]urea
CID 108875528

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[[2-(dimethylamino)pyrimidin-4-yl]methyl]urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[[2-(dimethylamino)pyrimidin-4-yl]methyl]urea (CID 91967706) is 1-(5-chloro-2-methoxyphenyl)-3-[[2-(dimethylamino)pyrimidin-4-yl]methyl]urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-[[2-(dimethylamino)pyrimidin-4-yl]methyl]urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-[[2-(dimethylamino)pyrimidin-4-yl]methyl]urea is COc1ccc(Cl)cc1NC(=O)NCc1ccnc(N(C)C)n1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-[[2-(dimethylamino)pyrimidin-4-yl]methyl]urea?
The InChIKey is IPVSOBRTXPEPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O2/c1-21(2)14-17-7-6-11(19-14)9-18-15(22)20-12-8-10(16)4-5-13(12)23-3/h4-8H,9H2,1-3H3,(H2,18,20,22).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-[[2-(dimethylamino)pyrimidin-4-yl]methyl]urea?
1-(5-chloro-2-methoxyphenyl)-3-[[2-(dimethylamino)pyrimidin-4-yl]methyl]urea has a molecular weight of 335.80 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-[[2-(dimethylamino)pyrimidin-4-yl]methyl]urea is sourced from PubChem (CID 91967706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).