4-(difluoromethyl)-2-(2-ethoxybutan-2-yl)pyrimidin-5-amine

C11H17F2N3O — CID 114207291

IUPAC4-(difluoromethyl)-2-(2-ethoxybutan-2-yl)pyrimidin-5-amine
SMILESCCOC(C)(CC)c1ncc(N)c(C(F)F)n1
InChIInChI=1S/C11H17F2N3O/c1-4-11(3,17-5-2)10-15-6-7(14)8(16-10)9(12)13/h6,9H,4-5,14H2,1-3H3
InChIKeyHAIQDYDJXMNYIZ-UHFFFAOYSA-N
MW245.27 g/mol
LogP2.66
Rot. Bonds5

About 4-(difluoromethyl)-2-(2-ethoxybutan-2-yl)pyrimidin-5-amine

4-(difluoromethyl)-2-(2-ethoxybutan-2-yl)pyrimidin-5-amine (PubChem CID 114207291) has the molecular formula C11H17F2N3O and a molecular weight of 245.27 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-(2-ethoxybutan-2-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-2-(2-ethoxybutan-2-yl)pyrimidin-5-amine
PubChem CID114207291
Molecular FormulaC11H17F2N3O
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name4-(difluoromethyl)-2-(2-ethoxybutan-2-yl)pyrimidin-5-amine
SMILESCCOC(C)(CC)c1ncc(N)c(C(F)F)n1
InChIInChI=1S/C11H17F2N3O/c1-4-11(3,17-5-2)10-15-6-7(14)8(16-10)9(12)13/h6,9H,4-5,14H2,1-3H3
InChIKeyHAIQDYDJXMNYIZ-UHFFFAOYSA-N
XLogP2.66
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-4-(difluoromethyl)pyrimidin-5-amine
CID 130483737
(1S)-1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanamine
CID 103431973
1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanol
CID 116779034
ethyl 2-(2-ethoxybutan-2-yl)-4-methylpyrimidine-5-carboxylate
CID 102972538
1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 116778892
2-(2-ethoxybutan-2-yl)pyrimidine-5-carbaldehyde
CID 116778410
2-(2-ethoxybutan-2-yl)-4-methylpyrimidine-5-carboxylic acid
CID 116775070
4-(chloromethyl)-2-(2-ethoxybutan-2-yl)pyrimidine
CID 116779049
2-(2-ethoxybutan-2-yl)-N-methylpyrimidin-4-amine
CID 116776051
1-[2-(2-methoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanamine
CID 116778873
2-cycloheptyl-4-(difluoromethyl)pyrimidin-5-amine
CID 114207293
[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 116740577

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-(2-ethoxybutan-2-yl)pyrimidin-5-amine?
The IUPAC name of 4-(difluoromethyl)-2-(2-ethoxybutan-2-yl)pyrimidin-5-amine (CID 114207291) is 4-(difluoromethyl)-2-(2-ethoxybutan-2-yl)pyrimidin-5-amine.
What is the SMILES notation for 4-(difluoromethyl)-2-(2-ethoxybutan-2-yl)pyrimidin-5-amine?
The canonical SMILES for 4-(difluoromethyl)-2-(2-ethoxybutan-2-yl)pyrimidin-5-amine is CCOC(C)(CC)c1ncc(N)c(C(F)F)n1.
What is the InChIKey of 4-(difluoromethyl)-2-(2-ethoxybutan-2-yl)pyrimidin-5-amine?
The InChIKey is HAIQDYDJXMNYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O/c1-4-11(3,17-5-2)10-15-6-7(14)8(16-10)9(12)13/h6,9H,4-5,14H2,1-3H3.
What are the key properties of 4-(difluoromethyl)-2-(2-ethoxybutan-2-yl)pyrimidin-5-amine?
4-(difluoromethyl)-2-(2-ethoxybutan-2-yl)pyrimidin-5-amine has a molecular weight of 245.27 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-(2-ethoxybutan-2-yl)pyrimidin-5-amine is sourced from PubChem (CID 114207291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).