4,6-dimethoxy-5-(2,3,3-trifluoropropyl)pyrimidin-2-amine

C9H12F3N3O2 — CID 175471206

IUPAC4,6-dimethoxy-5-(2,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESCOc1nc(N)nc(OC)c1CC(F)C(F)F
InChIInChI=1S/C9H12F3N3O2/c1-16-7-4(3-5(10)6(11)12)8(17-2)15-9(13)14-7/h5-6H,3H2,1-2H3,(H2,13,14,15)
InChIKeyPRMIZLSTEIRQFR-UHFFFAOYSA-N
MW251.21 g/mol
LogP1.22
Rot. Bonds5

About 4,6-dimethoxy-5-(2,3,3-trifluoropropyl)pyrimidin-2-amine

4,6-dimethoxy-5-(2,3,3-trifluoropropyl)pyrimidin-2-amine (PubChem CID 175471206) has the molecular formula C9H12F3N3O2 and a molecular weight of 251.21 g/mol. Its IUPAC name is 4,6-dimethoxy-5-(2,3,3-trifluoropropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-5-(2,3,3-trifluoropropyl)pyrimidin-2-amine
PubChem CID175471206
Molecular FormulaC9H12F3N3O2
Molecular Weight251.21 g/mol
Exact Mass251.09
IUPAC Name4,6-dimethoxy-5-(2,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESCOc1nc(N)nc(OC)c1CC(F)C(F)F
InChIInChI=1S/C9H12F3N3O2/c1-16-7-4(3-5(10)6(11)12)8(17-2)15-9(13)14-7/h5-6H,3H2,1-2H3,(H2,13,14,15)
InChIKeyPRMIZLSTEIRQFR-UHFFFAOYSA-N
XLogP1.22
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-(1,2-difluoroethoxy)-6-methoxypyrimidin-2-amine
CID 175471183
3-(2-amino-4,6-dimethoxypyrimidin-5-yl)propanenitrile
CID 164908424
4,6-dimethoxy-5-(2-methylsulfonylethyl)pyrimidin-2-amine
CID 164907958
5-(2-aminoethyl)-4-ethyl-6-methoxypyrimidin-2-amine
CID 105450108
4,6-dimethoxy-5-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
CID 175471466
6-methoxy-4-N-methylpyrimidine-2,4,5-triamine
CID 89207307
5-(aminomethyl)-4-cyclobutyl-6-methoxypyrimidin-2-amine
CID 105461912
5-ethyl-4-methoxy-6-phenylpyrimidin-2-amine
CID 12597618
CID 88687788
CID 88687788
3,5-difluoro-2,6-dimethoxypyridin-4-amine
CID 170648727
2-amino-4-methoxy-6-methylpyrimidine-5-selenol
CID 154295666
O-ethyl 2-amino-6-methoxy-5-(sulfanylmethyl)pyrimidine-4-carbothioate
CID 57196062

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-5-(2,3,3-trifluoropropyl)pyrimidin-2-amine?
The IUPAC name of 4,6-dimethoxy-5-(2,3,3-trifluoropropyl)pyrimidin-2-amine (CID 175471206) is 4,6-dimethoxy-5-(2,3,3-trifluoropropyl)pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethoxy-5-(2,3,3-trifluoropropyl)pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethoxy-5-(2,3,3-trifluoropropyl)pyrimidin-2-amine is COc1nc(N)nc(OC)c1CC(F)C(F)F.
What is the InChIKey of 4,6-dimethoxy-5-(2,3,3-trifluoropropyl)pyrimidin-2-amine?
The InChIKey is PRMIZLSTEIRQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O2/c1-16-7-4(3-5(10)6(11)12)8(17-2)15-9(13)14-7/h5-6H,3H2,1-2H3,(H2,13,14,15).
What are the key properties of 4,6-dimethoxy-5-(2,3,3-trifluoropropyl)pyrimidin-2-amine?
4,6-dimethoxy-5-(2,3,3-trifluoropropyl)pyrimidin-2-amine has a molecular weight of 251.21 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-5-(2,3,3-trifluoropropyl)pyrimidin-2-amine is sourced from PubChem (CID 175471206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).