N-(2,2-difluoropropyl)-4-methoxypyrimidin-2-amine

C8H11F2N3O — CID 131107592

IUPACN-(2,2-difluoropropyl)-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(NCC(C)(F)F)n1
InChIInChI=1S/C8H11F2N3O/c1-8(9,10)5-12-7-11-4-3-6(13-7)14-2/h3-4H,5H2,1-2H3,(H,11,12,13)
InChIKeyCIAHJZBDTOFOSN-UHFFFAOYSA-N
MW203.19 g/mol
LogP1.55
Rot. Bonds4

About N-(2,2-difluoropropyl)-4-methoxypyrimidin-2-amine

N-(2,2-difluoropropyl)-4-methoxypyrimidin-2-amine (PubChem CID 131107592) has the molecular formula C8H11F2N3O and a molecular weight of 203.19 g/mol. Its IUPAC name is N-(2,2-difluoropropyl)-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,2-difluoropropyl)-4-methoxypyrimidin-2-amine
PubChem CID131107592
Molecular FormulaC8H11F2N3O
Molecular Weight203.19 g/mol
Exact Mass203.09
IUPAC NameN-(2,2-difluoropropyl)-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(NCC(C)(F)F)n1
InChIInChI=1S/C8H11F2N3O/c1-8(9,10)5-12-7-11-4-3-6(13-7)14-2/h3-4H,5H2,1-2H3,(H,11,12,13)
InChIKeyCIAHJZBDTOFOSN-UHFFFAOYSA-N
XLogP1.55
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,2-difluoropropyl)-4-methoxypyrimidin-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

4-methoxy-N-(2-methoxy-2-methylpropyl)pyrimidin-2-amine
CID 115658463
N-(2-ethoxy-2-methylpropyl)-4-methoxypyrimidin-2-amine
CID 114942889
N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275
4-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 112636496
N-(4-methoxypyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664484
1-N-(4-methoxypyrimidin-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 112684646
N-but-3-ynyl-4-methoxypyrimidin-2-amine
CID 112690842
N-(cyclopentylmethyl)-4-methoxypyrimidin-2-amine
CID 112684482
4-methoxy-N-[3-(2-methoxyethoxy)propyl]pyrimidin-2-amine
CID 78818903
1-[(4-methoxypyrimidin-2-yl)amino]pentan-3-ol
CID 115702045
ethyl 2-[(4-methoxypyrimidin-2-yl)amino]acetate
CID 55207180
4-methoxy-N-[(E)-pent-3-enyl]pyrimidin-2-amine
CID 115628502

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoropropyl)-4-methoxypyrimidin-2-amine?
The IUPAC name of N-(2,2-difluoropropyl)-4-methoxypyrimidin-2-amine (CID 131107592) is N-(2,2-difluoropropyl)-4-methoxypyrimidin-2-amine.
What is the SMILES notation for N-(2,2-difluoropropyl)-4-methoxypyrimidin-2-amine?
The canonical SMILES for N-(2,2-difluoropropyl)-4-methoxypyrimidin-2-amine is COc1ccnc(NCC(C)(F)F)n1.
What is the InChIKey of N-(2,2-difluoropropyl)-4-methoxypyrimidin-2-amine?
The InChIKey is CIAHJZBDTOFOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O/c1-8(9,10)5-12-7-11-4-3-6(13-7)14-2/h3-4H,5H2,1-2H3,(H,11,12,13).
What are the key properties of N-(2,2-difluoropropyl)-4-methoxypyrimidin-2-amine?
N-(2,2-difluoropropyl)-4-methoxypyrimidin-2-amine has a molecular weight of 203.19 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoropropyl)-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 131107592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).