1-(2-aminopyrimidin-5-yl)-3-[2,2,2-trifluoro-1-(3-methylnaphthalen-2-yl)ethyl]urea

C18H16F3N5O — CID 176910637

IUPAC1-(2-aminopyrimidin-5-yl)-3-[2,2,2-trifluoro-1-(3-methylnaphthalen-2-yl)ethyl]urea
SMILESCc1cc2ccccc2cc1C(NC(=O)Nc1cnc(N)nc1)C(F)(F)F
InChIInChI=1S/C18H16F3N5O/c1-10-6-11-4-2-3-5-12(11)7-14(10)15(18(19,20)21)26-17(27)25-13-8-23-16(22)24-9-13/h2-9,15H,1H3,(H2,22,23,24)(H2,25,26,27)
InChIKeyWYMUIQHUSCIGSD-UHFFFAOYSA-N
MW375.35 g/mol
LogP3.95
Rot. Bonds3

About 1-(2-aminopyrimidin-5-yl)-3-[2,2,2-trifluoro-1-(3-methylnaphthalen-2-yl)ethyl]urea

1-(2-aminopyrimidin-5-yl)-3-[2,2,2-trifluoro-1-(3-methylnaphthalen-2-yl)ethyl]urea (PubChem CID 176910637) has the molecular formula C18H16F3N5O and a molecular weight of 375.35 g/mol. Its IUPAC name is 1-(2-aminopyrimidin-5-yl)-3-[2,2,2-trifluoro-1-(3-methylnaphthalen-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-aminopyrimidin-5-yl)-3-[2,2,2-trifluoro-1-(3-methylnaphthalen-2-yl)ethyl]urea
PubChem CID176910637
Molecular FormulaC18H16F3N5O
Molecular Weight375.35 g/mol
Exact Mass375.13
IUPAC Name1-(2-aminopyrimidin-5-yl)-3-[2,2,2-trifluoro-1-(3-methylnaphthalen-2-yl)ethyl]urea
SMILESCc1cc2ccccc2cc1C(NC(=O)Nc1cnc(N)nc1)C(F)(F)F
InChIInChI=1S/C18H16F3N5O/c1-10-6-11-4-2-3-5-12(11)7-14(10)15(18(19,20)21)26-17(27)25-13-8-23-16(22)24-9-13/h2-9,15H,1H3,(H2,22,23,24)(H2,25,26,27)
InChIKeyWYMUIQHUSCIGSD-UHFFFAOYSA-N
XLogP3.95
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(2-aminopyrimidin-5-yl)-3-[2,2,2-trifluoro-1-(3-methylnaphthalen-2-yl)ethyl]urea with MolForge

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Related Compounds

1-(2-aminopyrimidin-5-yl)-3-[(1S)-1-(4,6-difluoro-1-methylindol-2-yl)-2,2,2-trifluoroethyl]urea
CID 171509115
1-(2-aminopyrimidin-5-yl)-3-[(1R)-1-(5,7-difluoro-1,3-dimethylindol-2-yl)-2,2,2-trifluoroethyl]urea
CID 166533082
1-(2-methylpyrimidin-5-yl)-3-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 126818462
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(2,2,2-trifluoro-1-phenylethyl)urea
CID 87007491
1-(6-amino-5-fluoro-3-pyridinyl)-3-[(1R)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]urea
CID 166533005
1-(2-chloropyrimidin-5-yl)-3-[(1R)-2,2,2-trifluoro-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]urea
CID 166532211
1-(2-aminopyrimidin-5-yl)-3-[(1R)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]urea
CID 166531837
1-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-3-(3,5-dimethoxyphenyl)urea
CID 58829478
1-(2-aminopyrimidin-5-yl)-3-[(1S)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]urea
CID 166532141
1-(3,5-dimethoxyphenyl)-3-quinolin-3-ylurea
CID 16645779
(2R)-2-(quinolin-3-ylcarbamoylamino)propanoic acid
CID 78917504
1-(2-aminopyrimidin-5-yl)-3-[1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-1,2,2-trifluoroethyl]urea
CID 175566619

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopyrimidin-5-yl)-3-[2,2,2-trifluoro-1-(3-methylnaphthalen-2-yl)ethyl]urea?
The IUPAC name of 1-(2-aminopyrimidin-5-yl)-3-[2,2,2-trifluoro-1-(3-methylnaphthalen-2-yl)ethyl]urea (CID 176910637) is 1-(2-aminopyrimidin-5-yl)-3-[2,2,2-trifluoro-1-(3-methylnaphthalen-2-yl)ethyl]urea.
What is the SMILES notation for 1-(2-aminopyrimidin-5-yl)-3-[2,2,2-trifluoro-1-(3-methylnaphthalen-2-yl)ethyl]urea?
The canonical SMILES for 1-(2-aminopyrimidin-5-yl)-3-[2,2,2-trifluoro-1-(3-methylnaphthalen-2-yl)ethyl]urea is Cc1cc2ccccc2cc1C(NC(=O)Nc1cnc(N)nc1)C(F)(F)F.
What is the InChIKey of 1-(2-aminopyrimidin-5-yl)-3-[2,2,2-trifluoro-1-(3-methylnaphthalen-2-yl)ethyl]urea?
The InChIKey is WYMUIQHUSCIGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O/c1-10-6-11-4-2-3-5-12(11)7-14(10)15(18(19,20)21)26-17(27)25-13-8-23-16(22)24-9-13/h2-9,15H,1H3,(H2,22,23,24)(H2,25,26,27).
What are the key properties of 1-(2-aminopyrimidin-5-yl)-3-[2,2,2-trifluoro-1-(3-methylnaphthalen-2-yl)ethyl]urea?
1-(2-aminopyrimidin-5-yl)-3-[2,2,2-trifluoro-1-(3-methylnaphthalen-2-yl)ethyl]urea has a molecular weight of 375.35 g/mol, XLogP of 3.95, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopyrimidin-5-yl)-3-[2,2,2-trifluoro-1-(3-methylnaphthalen-2-yl)ethyl]urea is sourced from PubChem (CID 176910637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).