5-(4-fluorophenyl)-4-(1-methylimidazol-2-yl)-N-propan-2-ylpyrimidin-2-amine

C17H18FN5 — CID 92580271

IUPAC5-(4-fluorophenyl)-4-(1-methylimidazol-2-yl)-N-propan-2-ylpyrimidin-2-amine
SMILESCC(C)Nc1ncc(-c2ccc(F)cc2)c(-c2nccn2C)n1
InChIInChI=1S/C17H18FN5/c1-11(2)21-17-20-10-14(12-4-6-13(18)7-5-12)15(22-17)16-19-8-9-23(16)3/h4-11H,1-3H3,(H,20,21,22)
InChIKeyBWCFHXPCWBXEQC-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.50
Rot. Bonds4

About 5-(4-fluorophenyl)-4-(1-methylimidazol-2-yl)-N-propan-2-ylpyrimidin-2-amine

5-(4-fluorophenyl)-4-(1-methylimidazol-2-yl)-N-propan-2-ylpyrimidin-2-amine (PubChem CID 92580271) has the molecular formula C17H18FN5 and a molecular weight of 311.36 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-(1-methylimidazol-2-yl)-N-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-(1-methylimidazol-2-yl)-N-propan-2-ylpyrimidin-2-amine
PubChem CID92580271
Molecular FormulaC17H18FN5
Molecular Weight311.36 g/mol
Exact Mass311.15
IUPAC Name5-(4-fluorophenyl)-4-(1-methylimidazol-2-yl)-N-propan-2-ylpyrimidin-2-amine
SMILESCC(C)Nc1ncc(-c2ccc(F)cc2)c(-c2nccn2C)n1
InChIInChI=1S/C17H18FN5/c1-11(2)21-17-20-10-14(12-4-6-13(18)7-5-12)15(22-17)16-19-8-9-23(16)3/h4-11H,1-3H3,(H,20,21,22)
InChIKeyBWCFHXPCWBXEQC-UHFFFAOYSA-N
XLogP3.50
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-(1-methylimidazol-2-yl)-N-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 5-(4-fluorophenyl)-4-(1-methylimidazol-2-yl)-N-propan-2-ylpyrimidin-2-amine (CID 92580271) is 5-(4-fluorophenyl)-4-(1-methylimidazol-2-yl)-N-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-4-(1-methylimidazol-2-yl)-N-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 5-(4-fluorophenyl)-4-(1-methylimidazol-2-yl)-N-propan-2-ylpyrimidin-2-amine is CC(C)Nc1ncc(-c2ccc(F)cc2)c(-c2nccn2C)n1.
What is the InChIKey of 5-(4-fluorophenyl)-4-(1-methylimidazol-2-yl)-N-propan-2-ylpyrimidin-2-amine?
The InChIKey is BWCFHXPCWBXEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5/c1-11(2)21-17-20-10-14(12-4-6-13(18)7-5-12)15(22-17)16-19-8-9-23(16)3/h4-11H,1-3H3,(H,20,21,22).
What are the key properties of 5-(4-fluorophenyl)-4-(1-methylimidazol-2-yl)-N-propan-2-ylpyrimidin-2-amine?
5-(4-fluorophenyl)-4-(1-methylimidazol-2-yl)-N-propan-2-ylpyrimidin-2-amine has a molecular weight of 311.36 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-(1-methylimidazol-2-yl)-N-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 92580271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).