N-cyclopropyl-6-ethyl-5-fluoro-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine

C16H17F2N3 — CID 133432221

IUPACN-cyclopropyl-6-ethyl-5-fluoro-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine
SMILESCCc1ncnc(N(Cc2ccc(F)cc2)C2CC2)c1F
InChIInChI=1S/C16H17F2N3/c1-2-14-15(18)16(20-10-19-14)21(13-7-8-13)9-11-3-5-12(17)6-4-11/h3-6,10,13H,2,7-9H2,1H3
InChIKeyWTRZDOZTGVZEHS-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.49
Rot. Bonds5

About N-cyclopropyl-6-ethyl-5-fluoro-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine

N-cyclopropyl-6-ethyl-5-fluoro-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine (PubChem CID 133432221) has the molecular formula C16H17F2N3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-cyclopropyl-6-ethyl-5-fluoro-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-ethyl-5-fluoro-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine
PubChem CID133432221
Molecular FormulaC16H17F2N3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-cyclopropyl-6-ethyl-5-fluoro-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine
SMILESCCc1ncnc(N(Cc2ccc(F)cc2)C2CC2)c1F
InChIInChI=1S/C16H17F2N3/c1-2-14-15(18)16(20-10-19-14)21(13-7-8-13)9-11-3-5-12(17)6-4-11/h3-6,10,13H,2,7-9H2,1H3
InChIKeyWTRZDOZTGVZEHS-UHFFFAOYSA-N
XLogP3.49
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-ethyl-5-fluoro-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-6-ethyl-5-fluoro-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine (CID 133432221) is N-cyclopropyl-6-ethyl-5-fluoro-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-6-ethyl-5-fluoro-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-6-ethyl-5-fluoro-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine is CCc1ncnc(N(Cc2ccc(F)cc2)C2CC2)c1F.
What is the InChIKey of N-cyclopropyl-6-ethyl-5-fluoro-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine?
The InChIKey is WTRZDOZTGVZEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3/c1-2-14-15(18)16(20-10-19-14)21(13-7-8-13)9-11-3-5-12(17)6-4-11/h3-6,10,13H,2,7-9H2,1H3.
What are the key properties of N-cyclopropyl-6-ethyl-5-fluoro-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine?
N-cyclopropyl-6-ethyl-5-fluoro-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine has a molecular weight of 289.33 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-ethyl-5-fluoro-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 133432221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).