1-(3-chlorophenyl)-3-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]urea

C14H16ClN5O2 — CID 122319316

IUPAC1-(3-chlorophenyl)-3-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]urea
SMILESCOc1ncc(NC(=O)Nc2cccc(Cl)c2)c(N(C)C)n1
InChIInChI=1S/C14H16ClN5O2/c1-20(2)12-11(8-16-14(19-12)22-3)18-13(21)17-10-6-4-5-9(15)7-10/h4-8H,1-3H3,(H2,17,18,21)
InChIKeyWPQXSWWCYDWEGS-UHFFFAOYSA-N
MW321.77 g/mol
LogP2.85
Rot. Bonds4

About 1-(3-chlorophenyl)-3-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]urea

1-(3-chlorophenyl)-3-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]urea (PubChem CID 122319316) has the molecular formula C14H16ClN5O2 and a molecular weight of 321.77 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]urea
PubChem CID122319316
Molecular FormulaC14H16ClN5O2
Molecular Weight321.77 g/mol
Exact Mass321.10
IUPAC Name1-(3-chlorophenyl)-3-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]urea
SMILESCOc1ncc(NC(=O)Nc2cccc(Cl)c2)c(N(C)C)n1
InChIInChI=1S/C14H16ClN5O2/c1-20(2)12-11(8-16-14(19-12)22-3)18-13(21)17-10-6-4-5-9(15)7-10/h4-8H,1-3H3,(H2,17,18,21)
InChIKeyWPQXSWWCYDWEGS-UHFFFAOYSA-N
XLogP2.85
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2-methoxyphenyl)urea
CID 71807636
1-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2,4-dimethylphenyl)urea
CID 122319329
2-(4-chlorophenoxy)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]acetamide
CID 122319306
1-(3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 727874
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2-(3-methoxyphenoxy)acetamide
CID 122319402
1-(3-chlorophenyl)-3-[4-[[4-[(3-chlorophenyl)carbamoylamino]-3-methoxyphenyl]methyl]-2-methoxyphenyl]urea
CID 2252121
1-(5-chloro-2-methoxyphenyl)-3-(2,4-dimethoxypyrimidin-5-yl)urea
CID 122303962
4-cyano-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]benzamide
CID 122319436
(E)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2-methylphenyl)prop-2-enamide
CID 122319522
1-(2-tert-butylphenyl)-3-(3-chlorophenyl)urea
CID 3408863
N-[4-[(3-chlorophenyl)carbamoylamino]-2,5-dimethoxyphenyl]benzamide
CID 19187598
1-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 91966399

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]urea (CID 122319316) is 1-(3-chlorophenyl)-3-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]urea is COc1ncc(NC(=O)Nc2cccc(Cl)c2)c(N(C)C)n1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]urea?
The InChIKey is WPQXSWWCYDWEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O2/c1-20(2)12-11(8-16-14(19-12)22-3)18-13(21)17-10-6-4-5-9(15)7-10/h4-8H,1-3H3,(H2,17,18,21).
What are the key properties of 1-(3-chlorophenyl)-3-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]urea?
1-(3-chlorophenyl)-3-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]urea has a molecular weight of 321.77 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]urea is sourced from PubChem (CID 122319316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).