[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methanamine

C9H12F3N3O — CID 83189534

IUPAC[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methanamine
SMILESCc1nc(OC(C)C(F)(F)F)ncc1CN
InChIInChI=1S/C9H12F3N3O/c1-5-7(3-13)4-14-8(15-5)16-6(2)9(10,11)12/h4,6H,3,13H2,1-2H3
InChIKeyZECCPWODGJMUCQ-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.57
Rot. Bonds3

About [4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methanamine

[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methanamine (PubChem CID 83189534) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is [4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methanamine
PubChem CID83189534
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methanamine
SMILESCc1nc(OC(C)C(F)(F)F)ncc1CN
InChIInChI=1S/C9H12F3N3O/c1-5-7(3-13)4-14-8(15-5)16-6(2)9(10,11)12/h4,6H,3,13H2,1-2H3
InChIKeyZECCPWODGJMUCQ-UHFFFAOYSA-N
XLogP1.57
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methanamine?
The IUPAC name of [4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methanamine (CID 83189534) is [4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methanamine.
What is the SMILES notation for [4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methanamine?
The canonical SMILES for [4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methanamine is Cc1nc(OC(C)C(F)(F)F)ncc1CN.
What is the InChIKey of [4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methanamine?
The InChIKey is ZECCPWODGJMUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-5-7(3-13)4-14-8(15-5)16-6(2)9(10,11)12/h4,6H,3,13H2,1-2H3.
What are the key properties of [4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methanamine?
[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methanamine has a molecular weight of 235.21 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 83189534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).