6-(methoxymethyl)-N-propyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine

C12H18F3N3O — CID 79964332

IUPAC6-(methoxymethyl)-N-propyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
SMILESCCCNc1cc(COC)nc(CCC(F)(F)F)n1
InChIInChI=1S/C12H18F3N3O/c1-3-6-16-11-7-9(8-19-2)17-10(18-11)4-5-12(13,14)15/h7H,3-6,8H2,1-2H3,(H,16,17,18)
InChIKeyYPLCKICOTAYPAE-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.94
Rot. Bonds7

About 6-(methoxymethyl)-N-propyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine

6-(methoxymethyl)-N-propyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine (PubChem CID 79964332) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is 6-(methoxymethyl)-N-propyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(methoxymethyl)-N-propyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
PubChem CID79964332
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name6-(methoxymethyl)-N-propyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
SMILESCCCNc1cc(COC)nc(CCC(F)(F)F)n1
InChIInChI=1S/C12H18F3N3O/c1-3-6-16-11-7-9(8-19-2)17-10(18-11)4-5-12(13,14)15/h7H,3-6,8H2,1-2H3,(H,16,17,18)
InChIKeyYPLCKICOTAYPAE-UHFFFAOYSA-N
XLogP2.94
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-N-propyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The IUPAC name of 6-(methoxymethyl)-N-propyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine (CID 79964332) is 6-(methoxymethyl)-N-propyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(methoxymethyl)-N-propyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The canonical SMILES for 6-(methoxymethyl)-N-propyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine is CCCNc1cc(COC)nc(CCC(F)(F)F)n1.
What is the InChIKey of 6-(methoxymethyl)-N-propyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The InChIKey is YPLCKICOTAYPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-3-6-16-11-7-9(8-19-2)17-10(18-11)4-5-12(13,14)15/h7H,3-6,8H2,1-2H3,(H,16,17,18).
What are the key properties of 6-(methoxymethyl)-N-propyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
6-(methoxymethyl)-N-propyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine has a molecular weight of 277.29 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-N-propyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine is sourced from PubChem (CID 79964332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).