1-(4-chlorophenyl)-3-[[2-(dimethylamino)pyrimidin-4-yl]methyl]urea

C14H16ClN5O — CID 91967701

IUPAC1-(4-chlorophenyl)-3-[[2-(dimethylamino)pyrimidin-4-yl]methyl]urea
SMILESCN(C)c1nccc(CNC(=O)Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H16ClN5O/c1-20(2)13-16-8-7-12(18-13)9-17-14(21)19-11-5-3-10(15)4-6-11/h3-8H,9H2,1-2H3,(H2,17,19,21)
InChIKeyLCQGXGMNOQOCQT-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.52
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[[2-(dimethylamino)pyrimidin-4-yl]methyl]urea

1-(4-chlorophenyl)-3-[[2-(dimethylamino)pyrimidin-4-yl]methyl]urea (PubChem CID 91967701) has the molecular formula C14H16ClN5O and a molecular weight of 305.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[[2-(dimethylamino)pyrimidin-4-yl]methyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[[2-(dimethylamino)pyrimidin-4-yl]methyl]urea
PubChem CID91967701
Molecular FormulaC14H16ClN5O
Molecular Weight305.77 g/mol
Exact Mass305.10
IUPAC Name1-(4-chlorophenyl)-3-[[2-(dimethylamino)pyrimidin-4-yl]methyl]urea
SMILESCN(C)c1nccc(CNC(=O)Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H16ClN5O/c1-20(2)13-16-8-7-12(18-13)9-17-14(21)19-11-5-3-10(15)4-6-11/h3-8H,9H2,1-2H3,(H2,17,19,21)
InChIKeyLCQGXGMNOQOCQT-UHFFFAOYSA-N
XLogP2.52
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-[[2-(dimethylamino)pyrimidin-4-yl]methyl]urea
CID 91967706
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]acetamide
CID 122354210
5-chloro-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-methoxybenzamide
CID 91967691
1-[(4-chlorophenyl)methyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea
CID 47323613
1-(4-chlorophenyl)-3-[[2-(diethylamino)-4-pyridinyl]methyl]urea
CID 50830215
1-(4-chlorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 110747513
1-(4-chlorophenyl)-3-[(1-methylimidazol-2-yl)methyl]urea
CID 110446812
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 73168053
1-(4-chlorophenyl)-3-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]urea
CID 110874818
2-bromo-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]benzamide
CID 122354483
1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea
CID 2982210
1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]urea
CID 154770903

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[[2-(dimethylamino)pyrimidin-4-yl]methyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[[2-(dimethylamino)pyrimidin-4-yl]methyl]urea (CID 91967701) is 1-(4-chlorophenyl)-3-[[2-(dimethylamino)pyrimidin-4-yl]methyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[[2-(dimethylamino)pyrimidin-4-yl]methyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[[2-(dimethylamino)pyrimidin-4-yl]methyl]urea is CN(C)c1nccc(CNC(=O)Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[[2-(dimethylamino)pyrimidin-4-yl]methyl]urea?
The InChIKey is LCQGXGMNOQOCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O/c1-20(2)13-16-8-7-12(18-13)9-17-14(21)19-11-5-3-10(15)4-6-11/h3-8H,9H2,1-2H3,(H2,17,19,21).
What are the key properties of 1-(4-chlorophenyl)-3-[[2-(dimethylamino)pyrimidin-4-yl]methyl]urea?
1-(4-chlorophenyl)-3-[[2-(dimethylamino)pyrimidin-4-yl]methyl]urea has a molecular weight of 305.77 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[[2-(dimethylamino)pyrimidin-4-yl]methyl]urea is sourced from PubChem (CID 91967701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).