5-(2,2-difluoroethyl)-4-methoxy-6-methylpyrimidin-2-amine

C8H11F2N3O — CID 164908042

IUPAC5-(2,2-difluoroethyl)-4-methoxy-6-methylpyrimidin-2-amine
SMILESCOc1nc(N)nc(C)c1CC(F)F
InChIInChI=1S/C8H11F2N3O/c1-4-5(3-6(9)10)7(14-2)13-8(11)12-4/h6H,3H2,1-2H3,(H2,11,12,13)
InChIKeyNTRTYLOGFQKVRN-UHFFFAOYSA-N
MW203.19 g/mol
LogP1.18
Rot. Bonds3

About 5-(2,2-difluoroethyl)-4-methoxy-6-methylpyrimidin-2-amine

5-(2,2-difluoroethyl)-4-methoxy-6-methylpyrimidin-2-amine (PubChem CID 164908042) has the molecular formula C8H11F2N3O and a molecular weight of 203.19 g/mol. Its IUPAC name is 5-(2,2-difluoroethyl)-4-methoxy-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(2,2-difluoroethyl)-4-methoxy-6-methylpyrimidin-2-amine
PubChem CID164908042
Molecular FormulaC8H11F2N3O
Molecular Weight203.19 g/mol
Exact Mass203.09
IUPAC Name5-(2,2-difluoroethyl)-4-methoxy-6-methylpyrimidin-2-amine
SMILESCOc1nc(N)nc(C)c1CC(F)F
InChIInChI=1S/C8H11F2N3O/c1-4-5(3-6(9)10)7(14-2)13-8(11)12-4/h6H,3H2,1-2H3,(H2,11,12,13)
InChIKeyNTRTYLOGFQKVRN-UHFFFAOYSA-N
XLogP1.18
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Ethyl-4-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine
CID 755539
2-(2,4-Dimethoxy-6-methylpyrimidin-5-yl)ethanol
CID 46885005
2-(2-Chloro-4-methoxy-6-methylpyrimidin-5-yl)ethanol
CID 46885006
5-(2-Fluoroethyl)-2,4-dimethoxy-6-methylpyrimidine
CID 46885008
2-Chloro-5-(2-fluoroethyl)-4-methoxy-6-methylpyrimidine
CID 46885009
5-(2-Chloroethyl)-2,4-dimethoxy-6-methylpyrimidine
CID 46885143
2-Methyl-4-(trifluoromethyl)-5,6-dihydrofuro[2,3-d]pyrimidine
CID 22943717
2,4-Dimethoxy-5,6-dimethylpyrimidine
CID 11378723
5-Ethynyl-4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidine
CID 12151206
4-Methoxy-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 18456522
4-Methoxy-2-methyl-6-trifluoromethyl-5-trimethylsilylethynylpyrimidine
CID 22639913
4-Methoxy-6-propan-2-yl-5-(trifluoromethyl)pyrimidine
CID 58115651

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethyl)-4-methoxy-6-methylpyrimidin-2-amine?
The IUPAC name of 5-(2,2-difluoroethyl)-4-methoxy-6-methylpyrimidin-2-amine (CID 164908042) is 5-(2,2-difluoroethyl)-4-methoxy-6-methylpyrimidin-2-amine.
What is the SMILES notation for 5-(2,2-difluoroethyl)-4-methoxy-6-methylpyrimidin-2-amine?
The canonical SMILES for 5-(2,2-difluoroethyl)-4-methoxy-6-methylpyrimidin-2-amine is COc1nc(N)nc(C)c1CC(F)F.
What is the InChIKey of 5-(2,2-difluoroethyl)-4-methoxy-6-methylpyrimidin-2-amine?
The InChIKey is NTRTYLOGFQKVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O/c1-4-5(3-6(9)10)7(14-2)13-8(11)12-4/h6H,3H2,1-2H3,(H2,11,12,13).
What are the key properties of 5-(2,2-difluoroethyl)-4-methoxy-6-methylpyrimidin-2-amine?
5-(2,2-difluoroethyl)-4-methoxy-6-methylpyrimidin-2-amine has a molecular weight of 203.19 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethyl)-4-methoxy-6-methylpyrimidin-2-amine is sourced from PubChem (CID 164908042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).