N-(3,3-difluoropropyl)-2-methylpyrimidin-4-amine

C8H11F2N3 — CID 130700379

IUPACN-(3,3-difluoropropyl)-2-methylpyrimidin-4-amine
SMILESCc1nccc(NCCC(F)F)n1
InChIInChI=1S/C8H11F2N3/c1-6-11-5-3-8(13-6)12-4-2-7(9)10/h3,5,7H,2,4H2,1H3,(H,11,12,13)
InChIKeyYCEGPNKVTGIEFK-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.85
Rot. Bonds4

About N-(3,3-difluoropropyl)-2-methylpyrimidin-4-amine

N-(3,3-difluoropropyl)-2-methylpyrimidin-4-amine (PubChem CID 130700379) has the molecular formula C8H11F2N3 and a molecular weight of 187.19 g/mol. Its IUPAC name is N-(3,3-difluoropropyl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,3-difluoropropyl)-2-methylpyrimidin-4-amine
PubChem CID130700379
Molecular FormulaC8H11F2N3
Molecular Weight187.19 g/mol
Exact Mass187.09
IUPAC NameN-(3,3-difluoropropyl)-2-methylpyrimidin-4-amine
SMILESCc1nccc(NCCC(F)F)n1
InChIInChI=1S/C8H11F2N3/c1-6-11-5-3-8(13-6)12-4-2-7(9)10/h3,5,7H,2,4H2,1H3,(H,11,12,13)
InChIKeyYCEGPNKVTGIEFK-UHFFFAOYSA-N
XLogP1.85
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,3-difluoropropyl)-2-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-(3,3-difluoropropyl)-2-methylpyrimidin-4-amine?
The IUPAC name of N-(3,3-difluoropropyl)-2-methylpyrimidin-4-amine (CID 130700379) is N-(3,3-difluoropropyl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-(3,3-difluoropropyl)-2-methylpyrimidin-4-amine?
The canonical SMILES for N-(3,3-difluoropropyl)-2-methylpyrimidin-4-amine is Cc1nccc(NCCC(F)F)n1.
What is the InChIKey of N-(3,3-difluoropropyl)-2-methylpyrimidin-4-amine?
The InChIKey is YCEGPNKVTGIEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3/c1-6-11-5-3-8(13-6)12-4-2-7(9)10/h3,5,7H,2,4H2,1H3,(H,11,12,13).
What are the key properties of N-(3,3-difluoropropyl)-2-methylpyrimidin-4-amine?
N-(3,3-difluoropropyl)-2-methylpyrimidin-4-amine has a molecular weight of 187.19 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoropropyl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 130700379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).