N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-4-methylpyrimidin-2-amine

C16H20FN3 — CID 133349022

IUPACN-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-4-methylpyrimidin-2-amine
SMILESCc1ccnc(NC(c2ccc(F)cc2)C(C)(C)C)n1
InChIInChI=1S/C16H20FN3/c1-11-9-10-18-15(19-11)20-14(16(2,3)4)12-5-7-13(17)8-6-12/h5-10,14H,1-4H3,(H,18,19,20)
InChIKeyHZENPQRPRXKHMC-UHFFFAOYSA-N
MW273.36 g/mol
LogP4.12
Rot. Bonds3

About N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-4-methylpyrimidin-2-amine

N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-4-methylpyrimidin-2-amine (PubChem CID 133349022) has the molecular formula C16H20FN3 and a molecular weight of 273.36 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-4-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-4-methylpyrimidin-2-amine
PubChem CID133349022
Molecular FormulaC16H20FN3
Molecular Weight273.36 g/mol
Exact Mass273.16
IUPAC NameN-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-4-methylpyrimidin-2-amine
SMILESCc1ccnc(NC(c2ccc(F)cc2)C(C)(C)C)n1
InChIInChI=1S/C16H20FN3/c1-11-9-10-18-15(19-11)20-14(16(2,3)4)12-5-7-13(17)8-6-12/h5-10,14H,1-4H3,(H,18,19,20)
InChIKeyHZENPQRPRXKHMC-UHFFFAOYSA-N
XLogP4.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-4-methylpyrimidin-2-amine?
The IUPAC name of N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-4-methylpyrimidin-2-amine (CID 133349022) is N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-4-methylpyrimidin-2-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-4-methylpyrimidin-2-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-4-methylpyrimidin-2-amine is Cc1ccnc(NC(c2ccc(F)cc2)C(C)(C)C)n1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-4-methylpyrimidin-2-amine?
The InChIKey is HZENPQRPRXKHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-11-9-10-18-15(19-11)20-14(16(2,3)4)12-5-7-13(17)8-6-12/h5-10,14H,1-4H3,(H,18,19,20).
What are the key properties of N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-4-methylpyrimidin-2-amine?
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-4-methylpyrimidin-2-amine has a molecular weight of 273.36 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-4-methylpyrimidin-2-amine is sourced from PubChem (CID 133349022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).