4-methoxy-5-(3,3,3-trifluoropropyl)pyrimidin-2-amine

C8H10F3N3O — CID 164908335

IUPAC4-methoxy-5-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESCOc1nc(N)ncc1CCC(F)(F)F
InChIInChI=1S/C8H10F3N3O/c1-15-6-5(2-3-8(9,10)11)4-13-7(12)14-6/h4H,2-3H2,1H3,(H2,12,13,14)
InChIKeyKYXPAUZVSPOBAA-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.56
Rot. Bonds3

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

4-methoxy-5-(3,3,3-trifluoropropyl)pyrimidin-2-amine (PubChem CID 164908335) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 4-methoxy-5-(3,3,3-trifluoropropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-5-(3,3,3-trifluoropropyl)pyrimidin-2-amine
PubChem CID164908335
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name4-methoxy-5-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESCOc1nc(N)ncc1CCC(F)(F)F
InChIInChI=1S/C8H10F3N3O/c1-15-6-5(2-3-8(9,10)11)4-13-7(12)14-6/h4H,2-3H2,1H3,(H2,12,13,14)
InChIKeyKYXPAUZVSPOBAA-UHFFFAOYSA-N
XLogP1.56
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-Dimethoxy-5-(nonafluorobutyl)pyrimidine
CID 125484246
2-Chloro-5-(2-fluoroethyl)-4-methoxypyrimidine
CID 57396909
2,4-Dimethoxy-5-(3-methylbut-2-enyl)pyrimidine
CID 121222316
2,4-Diethoxy-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrimidine
CID 86220862
6,7-dihydro-5H-pyrano[2,3-d]pyrimidine
CID 54464103
5-(2-Fluoroethyl)-2,4-dimethoxypyrimidine
CID 91619481
5-(1,1,2,2,3,3,3-Heptafluoropropyl)-2,4-dimethoxypyrimidine
CID 23264522
4-Methoxy-5-(trifluoromethyl)pyrimidin-2-amine
CID 90331357
2-(Difluoromethyl)-5-ethyl-4-methoxypyrimidine
CID 121355359
4-Methoxy-5-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 164907832
5-(1,1-Difluoroethyl)-4-methoxypyrimidin-2-amine
CID 164907865
5-(2,2-Difluoropropyl)-4,6-dimethoxypyrimidin-2-amine
CID 164907912

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The IUPAC name of 4-methoxy-5-(3,3,3-trifluoropropyl)pyrimidin-2-amine (CID 164908335) is 4-methoxy-5-(3,3,3-trifluoropropyl)pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-5-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-5-(3,3,3-trifluoropropyl)pyrimidin-2-amine is COc1nc(N)ncc1CCC(F)(F)F.
What is the InChIKey of 4-methoxy-5-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The InChIKey is KYXPAUZVSPOBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-15-6-5(2-3-8(9,10)11)4-13-7(12)14-6/h4H,2-3H2,1H3,(H2,12,13,14).
What are the key properties of 4-methoxy-5-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
4-methoxy-5-(3,3,3-trifluoropropyl)pyrimidin-2-amine has a molecular weight of 221.18 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-(3,3,3-trifluoropropyl)pyrimidin-2-amine is sourced from PubChem (CID 164908335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).