5-methyl-2-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine

C11H15F4N3O — CID 80988803

IUPAC5-methyl-2-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
SMILESCCCc1nc(N)c(C)c(OCC(F)(F)C(F)F)n1
InChIInChI=1S/C11H15F4N3O/c1-3-4-7-17-8(16)6(2)9(18-7)19-5-11(14,15)10(12)13/h10H,3-5H2,1-2H3,(H2,16,17,18)
InChIKeyRGDVQERTGKIWDQ-UHFFFAOYSA-N
MW281.25 g/mol
LogP2.60
Rot. Bonds6

About 5-methyl-2-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine

5-methyl-2-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine (PubChem CID 80988803) has the molecular formula C11H15F4N3O and a molecular weight of 281.25 g/mol. Its IUPAC name is 5-methyl-2-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-2-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
PubChem CID80988803
Molecular FormulaC11H15F4N3O
Molecular Weight281.25 g/mol
Exact Mass281.12
IUPAC Name5-methyl-2-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
SMILESCCCc1nc(N)c(C)c(OCC(F)(F)C(F)F)n1
InChIInChI=1S/C11H15F4N3O/c1-3-4-7-17-8(16)6(2)9(18-7)19-5-11(14,15)10(12)13/h10H,3-5H2,1-2H3,(H2,16,17,18)
InChIKeyRGDVQERTGKIWDQ-UHFFFAOYSA-N
XLogP2.60
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

4-Fluoro-6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidine
CID 13379302
2,4-Diethoxy-5,6-difluoropyrimidine
CID 134912746
4,6-Diethoxy-2,5-dimethylpyrimidine
CID 60096147
6-Methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine
CID 13379306
4-Fluoro-6-methoxy-5-(trifluoromethyl)pyrimidin-2-amine
CID 15590750
4-Hydrazino-6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidine
CID 18544800
6-(2,2,3,3-Tetrafluoropropoxy)pyrimidine-2,4-diamine
CID 57003761
6-(2,2-Difluoropropoxy)-5-fluoropyrimidin-4-amine
CID 123161731
4,6-Diethoxy-2-fluoro-5-methylpyrimidine
CID 129239001
2,4-Diamino-6-ethoxy-5-pyrimidinecarbonitrile
CID 12290582
6-Amino-5-cyano-2-cyanoimino-4-ethoxy-1h-pyrimidine
CID 132275649
2,6-Bis(2,2,2-trifluoroethoxy)pyrimidin-4-amine
CID 3726631

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine?
The IUPAC name of 5-methyl-2-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine (CID 80988803) is 5-methyl-2-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-2-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine?
The canonical SMILES for 5-methyl-2-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine is CCCc1nc(N)c(C)c(OCC(F)(F)C(F)F)n1.
What is the InChIKey of 5-methyl-2-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine?
The InChIKey is RGDVQERTGKIWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F4N3O/c1-3-4-7-17-8(16)6(2)9(18-7)19-5-11(14,15)10(12)13/h10H,3-5H2,1-2H3,(H2,16,17,18).
What are the key properties of 5-methyl-2-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine?
5-methyl-2-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine has a molecular weight of 281.25 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine is sourced from PubChem (CID 80988803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).