N-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine

C15H18FN5 — CID 119112725

IUPACN-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCc1nn(-c2ccc(F)cc2)cc1CNC1=NCCCN1
InChIInChI=1S/C15H18FN5/c1-11-12(9-19-15-17-7-2-8-18-15)10-21(20-11)14-5-3-13(16)4-6-14/h3-6,10H,2,7-9H2,1H3,(H2,17,18,19)
InChIKeyZIWAQMNPQNZIIG-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.76
Rot. Bonds3

About N-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine

N-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 119112725) has the molecular formula C15H18FN5 and a molecular weight of 287.34 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID119112725
Molecular FormulaC15H18FN5
Molecular Weight287.34 g/mol
Exact Mass287.15
IUPAC NameN-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCc1nn(-c2ccc(F)cc2)cc1CNC1=NCCCN1
InChIInChI=1S/C15H18FN5/c1-11-12(9-19-15-17-7-2-8-18-15)10-21(20-11)14-5-3-13(16)4-6-14/h3-6,10H,2,7-9H2,1H3,(H2,17,18,19)
InChIKeyZIWAQMNPQNZIIG-UHFFFAOYSA-N
XLogP1.76
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 119112725) is N-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine is Cc1nn(-c2ccc(F)cc2)cc1CNC1=NCCCN1.
What is the InChIKey of N-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is ZIWAQMNPQNZIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5/c1-11-12(9-19-15-17-7-2-8-18-15)10-21(20-11)14-5-3-13(16)4-6-14/h3-6,10H,2,7-9H2,1H3,(H2,17,18,19).
What are the key properties of N-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
N-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 287.34 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 119112725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).