N-[(2R)-1-methoxypropan-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine

C9H12F3N3O — CID 167221773

IUPACN-[(2R)-1-methoxypropan-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCOC[C@@H](C)Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C9H12F3N3O/c1-6(5-16-2)14-8-13-4-3-7(15-8)9(10,11)12/h3-4,6H,5H2,1-2H3,(H,13,14,15)/t6-/m1/s1
InChIKeyKTDXUMMPKSMGRA-ZCFIWIBFSA-N
MW235.21 g/mol
LogP1.94
Rot. Bonds4

About N-[(2R)-1-methoxypropan-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine

N-[(2R)-1-methoxypropan-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 167221773) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is N-[(2R)-1-methoxypropan-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2R)-1-methoxypropan-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID167221773
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC NameN-[(2R)-1-methoxypropan-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCOC[C@@H](C)Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C9H12F3N3O/c1-6(5-16-2)14-8-13-4-3-7(15-8)9(10,11)12/h3-4,6H,5H2,1-2H3,(H,13,14,15)/t6-/m1/s1
InChIKeyKTDXUMMPKSMGRA-ZCFIWIBFSA-N
XLogP1.94
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-methoxypropan-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[(2R)-1-methoxypropan-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 167221773) is N-[(2R)-1-methoxypropan-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[(2R)-1-methoxypropan-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[(2R)-1-methoxypropan-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine is COC[C@@H](C)Nc1nccc(C(F)(F)F)n1.
What is the InChIKey of N-[(2R)-1-methoxypropan-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is KTDXUMMPKSMGRA-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-6(5-16-2)14-8-13-4-3-7(15-8)9(10,11)12/h3-4,6H,5H2,1-2H3,(H,13,14,15)/t6-/m1/s1.
What are the key properties of N-[(2R)-1-methoxypropan-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-[(2R)-1-methoxypropan-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 235.21 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-methoxypropan-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 167221773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).