(1R)-1-[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-yl]ethanamine

C11H16F3N3O — CID 103431732

IUPAC(1R)-1-[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-yl]ethanamine
SMILESCc1nc(CCOCC(F)(F)F)ncc1[C@@H](C)N
InChIInChI=1S/C11H16F3N3O/c1-7(15)9-5-16-10(17-8(9)2)3-4-18-6-11(12,13)14/h5,7H,3-4,6,15H2,1-2H3/t7-/m1/s1
InChIKeySCGZYJTZJDAPEI-SSDOTTSWSA-N
MW263.26 g/mol
LogP1.93
Rot. Bonds5

About (1R)-1-[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-yl]ethanamine

(1R)-1-[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-yl]ethanamine (PubChem CID 103431732) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is (1R)-1-[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-yl]ethanamine
PubChem CID103431732
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name(1R)-1-[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-yl]ethanamine
SMILESCc1nc(CCOCC(F)(F)F)ncc1[C@@H](C)N
InChIInChI=1S/C11H16F3N3O/c1-7(15)9-5-16-10(17-8(9)2)3-4-18-6-11(12,13)14/h5,7H,3-4,6,15H2,1-2H3/t7-/m1/s1
InChIKeySCGZYJTZJDAPEI-SSDOTTSWSA-N
XLogP1.93
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-yl]ethanamine?
The IUPAC name of (1R)-1-[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-yl]ethanamine (CID 103431732) is (1R)-1-[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-yl]ethanamine.
What is the SMILES notation for (1R)-1-[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-yl]ethanamine?
The canonical SMILES for (1R)-1-[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-yl]ethanamine is Cc1nc(CCOCC(F)(F)F)ncc1[C@@H](C)N.
What is the InChIKey of (1R)-1-[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-yl]ethanamine?
The InChIKey is SCGZYJTZJDAPEI-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-7(15)9-5-16-10(17-8(9)2)3-4-18-6-11(12,13)14/h5,7H,3-4,6,15H2,1-2H3/t7-/m1/s1.
What are the key properties of (1R)-1-[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-yl]ethanamine?
(1R)-1-[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-yl]ethanamine has a molecular weight of 263.26 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-yl]ethanamine is sourced from PubChem (CID 103431732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).