6-ethoxy-2-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine

C10H14F3N3O — CID 66324874

IUPAC6-ethoxy-2-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
SMILESCCOc1cc(NCCC(F)(F)F)nc(C)n1
InChIInChI=1S/C10H14F3N3O/c1-3-17-9-6-8(15-7(2)16-9)14-5-4-10(11,12)13/h6H,3-5H2,1-2H3,(H,14,15,16)
InChIKeyVSPKRTBJAUKZGU-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.55
Rot. Bonds5

About 6-ethoxy-2-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine

6-ethoxy-2-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine (PubChem CID 66324874) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 6-ethoxy-2-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-2-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
PubChem CID66324874
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name6-ethoxy-2-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
SMILESCCOc1cc(NCCC(F)(F)F)nc(C)n1
InChIInChI=1S/C10H14F3N3O/c1-3-17-9-6-8(15-7(2)16-9)14-5-4-10(11,12)13/h6H,3-5H2,1-2H3,(H,14,15,16)
InChIKeyVSPKRTBJAUKZGU-UHFFFAOYSA-N
XLogP2.55
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 549435
CID 549435
CID 202116
CID 202116
CID 202117
CID 202117
CID 103817396
CID 103817396
CID 4334263
CID 4334263
CID 68058468
CID 68058468
CID 478123
CID 478123
CID 25129161
CID 25129161
CID 44577031
CID 44577031
CID 44577033
CID 44577033
CID 44577057
CID 44577057
CID 44577415
CID 44577415

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-2-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine (CID 66324874) is 6-ethoxy-2-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-2-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-2-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine is CCOc1cc(NCCC(F)(F)F)nc(C)n1.
What is the InChIKey of 6-ethoxy-2-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The InChIKey is VSPKRTBJAUKZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-3-17-9-6-8(15-7(2)16-9)14-5-4-10(11,12)13/h6H,3-5H2,1-2H3,(H,14,15,16).
What are the key properties of 6-ethoxy-2-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
6-ethoxy-2-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine has a molecular weight of 249.24 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine is sourced from PubChem (CID 66324874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).