N-(1-fluoro-2-methylpropan-2-yl)-6-methylpyrimidin-4-amine

C9H14FN3 — CID 126987889

IUPACN-(1-fluoro-2-methylpropan-2-yl)-6-methylpyrimidin-4-amine
SMILESCc1cc(NC(C)(C)CF)ncn1
InChIInChI=1S/C9H14FN3/c1-7-4-8(12-6-11-7)13-9(2,3)5-10/h4,6H,5H2,1-3H3,(H,11,12,13)
InChIKeyMODDCXLTOXYOLA-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.95
Rot. Bonds3

About N-(1-fluoro-2-methylpropan-2-yl)-6-methylpyrimidin-4-amine

N-(1-fluoro-2-methylpropan-2-yl)-6-methylpyrimidin-4-amine (PubChem CID 126987889) has the molecular formula C9H14FN3 and a molecular weight of 183.23 g/mol. Its IUPAC name is N-(1-fluoro-2-methylpropan-2-yl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-fluoro-2-methylpropan-2-yl)-6-methylpyrimidin-4-amine
PubChem CID126987889
Molecular FormulaC9H14FN3
Molecular Weight183.23 g/mol
Exact Mass183.12
IUPAC NameN-(1-fluoro-2-methylpropan-2-yl)-6-methylpyrimidin-4-amine
SMILESCc1cc(NC(C)(C)CF)ncn1
InChIInChI=1S/C9H14FN3/c1-7-4-8(12-6-11-7)13-9(2,3)5-10/h4,6H,5H2,1-3H3,(H,11,12,13)
InChIKeyMODDCXLTOXYOLA-UHFFFAOYSA-N
XLogP1.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-fluoro-2-methylpropan-2-yl)-6-methylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-fluoro-2-methylpropan-2-yl)-6-methylpyrimidin-4-amine?
The IUPAC name of N-(1-fluoro-2-methylpropan-2-yl)-6-methylpyrimidin-4-amine (CID 126987889) is N-(1-fluoro-2-methylpropan-2-yl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-(1-fluoro-2-methylpropan-2-yl)-6-methylpyrimidin-4-amine?
The canonical SMILES for N-(1-fluoro-2-methylpropan-2-yl)-6-methylpyrimidin-4-amine is Cc1cc(NC(C)(C)CF)ncn1.
What is the InChIKey of N-(1-fluoro-2-methylpropan-2-yl)-6-methylpyrimidin-4-amine?
The InChIKey is MODDCXLTOXYOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3/c1-7-4-8(12-6-11-7)13-9(2,3)5-10/h4,6H,5H2,1-3H3,(H,11,12,13).
What are the key properties of N-(1-fluoro-2-methylpropan-2-yl)-6-methylpyrimidin-4-amine?
N-(1-fluoro-2-methylpropan-2-yl)-6-methylpyrimidin-4-amine has a molecular weight of 183.23 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoro-2-methylpropan-2-yl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 126987889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).