N,2,5-trimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine

C10H14F3N3O — CID 80877384

IUPACN,2,5-trimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
SMILESCNc1nc(C)nc(OC(C)C(F)(F)F)c1C
InChIInChI=1S/C10H14F3N3O/c1-5-8(14-4)15-7(3)16-9(5)17-6(2)10(11,12)13/h6H,1-4H3,(H,14,15,16)
InChIKeyKISGSOMCTWEIID-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.46
Rot. Bonds3

About N,2,5-trimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine

N,2,5-trimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine (PubChem CID 80877384) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is N,2,5-trimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN,2,5-trimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
PubChem CID80877384
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC NameN,2,5-trimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
SMILESCNc1nc(C)nc(OC(C)C(F)(F)F)c1C
InChIInChI=1S/C10H14F3N3O/c1-5-8(14-4)15-7(3)16-9(5)17-6(2)10(11,12)13/h6H,1-4H3,(H,14,15,16)
InChIKeyKISGSOMCTWEIID-UHFFFAOYSA-N
XLogP2.46
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine
CID 13379306
N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
CID 80877714
6-(2,2-Difluoropropoxy)-5-fluoropyrimidin-4-amine
CID 123161731
N,2-dimethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine;hydrochloride
CID 175464510
6-Amino-5-cyano-2-cyanoimino-4-ethoxy-1h-pyrimidine
CID 132275649
4-Chloro-2,5-dimethyl-6-(2,2,2-trifluoroethoxy)pyrimidine
CID 63735357
4-Chloro-2,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine
CID 66277827
6-ethoxy-2-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 66324874
6-ethoxy-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 66326063
6-methoxy-5-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 66326659
6-ethoxy-5-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 66326660
6-methoxy-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 66326871

Frequently Asked Questions

What is the IUPAC name of N,2,5-trimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine?
The IUPAC name of N,2,5-trimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine (CID 80877384) is N,2,5-trimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine.
What is the SMILES notation for N,2,5-trimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine?
The canonical SMILES for N,2,5-trimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine is CNc1nc(C)nc(OC(C)C(F)(F)F)c1C.
What is the InChIKey of N,2,5-trimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine?
The InChIKey is KISGSOMCTWEIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-5-8(14-4)15-7(3)16-9(5)17-6(2)10(11,12)13/h6H,1-4H3,(H,14,15,16).
What are the key properties of N,2,5-trimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine?
N,2,5-trimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine has a molecular weight of 249.24 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine is sourced from PubChem (CID 80877384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).