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

C14H16FN5O — CID 72718258

IUPAC1-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-(2-fluorophenyl)urea
SMILESCN(C)c1ccnc(CNC(=O)Nc2ccccc2F)n1
InChIInChI=1S/C14H16FN5O/c1-20(2)13-7-8-16-12(19-13)9-17-14(21)18-11-6-4-3-5-10(11)15/h3-8H,9H2,1-2H3,(H2,17,18,21)
InChIKeyISDIFJIZFKPKFY-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.00
Rot. Bonds4

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

1-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-(2-fluorophenyl)urea (PubChem CID 72718258) has the molecular formula C14H16FN5O and a molecular weight of 289.31 g/mol. Its IUPAC name is 1-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-(2-fluorophenyl)urea
PubChem CID72718258
Molecular FormulaC14H16FN5O
Molecular Weight289.31 g/mol
Exact Mass289.13
IUPAC Name1-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-(2-fluorophenyl)urea
SMILESCN(C)c1ccnc(CNC(=O)Nc2ccccc2F)n1
InChIInChI=1S/C14H16FN5O/c1-20(2)13-7-8-16-12(19-13)9-17-14(21)18-11-6-4-3-5-10(11)15/h3-8H,9H2,1-2H3,(H2,17,18,21)
InChIKeyISDIFJIZFKPKFY-UHFFFAOYSA-N
XLogP2.00
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-(3,4-dimethylphenyl)urea
CID 72718253
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2,4-difluorobenzamide
CID 91967056
(2S)-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-phenoxypropanamide
CID 99882923
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-fluoro-4-methylbenzamide
CID 122322557
1-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122322429
1-[2-(dimethylamino)-3-pyridinyl]-3-(2-fluorophenyl)urea
CID 53016555
4-acetyl-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]benzamide
CID 122322625
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-methylbenzamide
CID 91967035
1-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(2-fluorophenyl)urea
CID 47001063
1-[(4-aminopyrimidin-2-yl)methyl]-3-naphthalen-1-ylurea
CID 71849011
1-(2-fluorophenyl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 24651164
1-(2-fluorophenyl)-3-[(3-methyloxetan-3-yl)methyl]urea
CID 112690764

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-(2-fluorophenyl)urea?
The IUPAC name of 1-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-(2-fluorophenyl)urea (CID 72718258) is 1-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-(2-fluorophenyl)urea is CN(C)c1ccnc(CNC(=O)Nc2ccccc2F)n1.
What is the InChIKey of 1-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-(2-fluorophenyl)urea?
The InChIKey is ISDIFJIZFKPKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5O/c1-20(2)13-7-8-16-12(19-13)9-17-14(21)18-11-6-4-3-5-10(11)15/h3-8H,9H2,1-2H3,(H2,17,18,21).
What are the key properties of 1-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-(2-fluorophenyl)urea?
1-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-(2-fluorophenyl)urea has a molecular weight of 289.31 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-(2-fluorophenyl)urea is sourced from PubChem (CID 72718258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).