6-propoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

C9H12F3N3O — CID 66327555

IUPAC6-propoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCCOc1cc(NCC(F)(F)F)ncn1
InChIInChI=1S/C9H12F3N3O/c1-2-3-16-8-4-7(14-6-15-8)13-5-9(10,11)12/h4,6H,2-3,5H2,1H3,(H,13,14,15)
InChIKeyXVOSAIXHFKXGKQ-UHFFFAOYSA-N
MW235.21 g/mol
LogP2.24
Rot. Bonds5

About 6-propoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

6-propoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 66327555) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 6-propoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-propoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID66327555
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name6-propoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCCOc1cc(NCC(F)(F)F)ncn1
InChIInChI=1S/C9H12F3N3O/c1-2-3-16-8-4-7(14-6-15-8)13-5-9(10,11)12/h4,6H,2-3,5H2,1H3,(H,13,14,15)
InChIKeyXVOSAIXHFKXGKQ-UHFFFAOYSA-N
XLogP2.24
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Amino-6-methoxypyrimidine
CID 735731
4-(2,2-Dimethylpropoxy)pyrimidin-2-amine
CID 122536474
2,4-Diethoxypyrimidine
CID 224854
Pyrimidine, 2,4-diamino-6-(2-(dimethylamino)ethoxy)-
CID 202116
Pyrimidine, 2,4-diamino-6-(2-(diethylamino)ethoxy)-
CID 202117
4-Methoxy-6-(piperazin-1-yl)pyrimidine
CID 45789017
4-N-butyl-6-methoxypyrimidine-2,4-diamine
CID 103817396
4-Ethoxypyrimidine
CID 12244941
Pyrimidine, 4-isopropoxy-2-methyl-
CID 21630681
4-Ethoxy-2-(piperazin-1-yl)pyrimidine
CID 17855548
6-(2-Methylpropoxy)pyrimidin-4-amine
CID 68058468
2,6-Di-(sec-butoxy)-4-aminopyrimidine
CID 478123

Frequently Asked Questions

What is the IUPAC name of 6-propoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 6-propoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 66327555) is 6-propoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-propoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 6-propoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is CCCOc1cc(NCC(F)(F)F)ncn1.
What is the InChIKey of 6-propoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is XVOSAIXHFKXGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-2-3-16-8-4-7(14-6-15-8)13-5-9(10,11)12/h4,6H,2-3,5H2,1H3,(H,13,14,15).
What are the key properties of 6-propoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
6-propoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 235.21 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 66327555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).