3-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C14H13F3N6O — CID 72891339

IUPAC3-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1cc(C(F)(F)F)nc(CCNc2ncnc3onc(C)c23)n1
InChIInChI=1S/C14H13F3N6O/c1-7-5-9(14(15,16)17)22-10(21-7)3-4-18-12-11-8(2)23-24-13(11)20-6-19-12/h5-6H,3-4H2,1-2H3,(H,18,19,20)
InChIKeyIPNMJCBADSFTCN-UHFFFAOYSA-N
MW338.29 g/mol
LogP2.70
Rot. Bonds4

About 3-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

3-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 72891339) has the molecular formula C14H13F3N6O and a molecular weight of 338.29 g/mol. Its IUPAC name is 3-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID72891339
Molecular FormulaC14H13F3N6O
Molecular Weight338.29 g/mol
Exact Mass338.11
IUPAC Name3-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1cc(C(F)(F)F)nc(CCNc2ncnc3onc(C)c23)n1
InChIInChI=1S/C14H13F3N6O/c1-7-5-9(14(15,16)17)22-10(21-7)3-4-18-12-11-8(2)23-24-13(11)20-6-19-12/h5-6H,3-4H2,1-2H3,(H,18,19,20)
InChIKeyIPNMJCBADSFTCN-UHFFFAOYSA-N
XLogP2.70
TPSA89.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 3-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 72891339) is 3-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is Cc1cc(C(F)(F)F)nc(CCNc2ncnc3onc(C)c23)n1.
What is the InChIKey of 3-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is IPNMJCBADSFTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N6O/c1-7-5-9(14(15,16)17)22-10(21-7)3-4-18-12-11-8(2)23-24-13(11)20-6-19-12/h5-6H,3-4H2,1-2H3,(H,18,19,20).
What are the key properties of 3-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
3-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 338.29 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 72891339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).