4-[(3S)-3-methoxypyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidine

C10H12F3N3O — CID 164629913

IUPAC4-[(3S)-3-methoxypyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidine
SMILESCO[C@H]1CCN(c2cc(C(F)(F)F)ncn2)C1
InChIInChI=1S/C10H12F3N3O/c1-17-7-2-3-16(5-7)9-4-8(10(11,12)13)14-6-15-9/h4,6-7H,2-3,5H2,1H3/t7-/m0/s1
InChIKeyDPHVAUIORHOIRY-ZETCQYMHSA-N
MW247.22 g/mol
LogP1.72
Rot. Bonds2

About 4-[(3S)-3-methoxypyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidine

4-[(3S)-3-methoxypyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidine (PubChem CID 164629913) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 4-[(3S)-3-methoxypyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-[(3S)-3-methoxypyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidine
PubChem CID164629913
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name4-[(3S)-3-methoxypyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidine
SMILESCO[C@H]1CCN(c2cc(C(F)(F)F)ncn2)C1
InChIInChI=1S/C10H12F3N3O/c1-17-7-2-3-16(5-7)9-4-8(10(11,12)13)14-6-15-9/h4,6-7H,2-3,5H2,1H3/t7-/m0/s1
InChIKeyDPHVAUIORHOIRY-ZETCQYMHSA-N
XLogP1.72
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Pyrrolidin-3-yloxy-4-(trifluoromethyl)pyrimidine
CID 64585868
N-(2-methoxyethyl)-6-methyl-N-(2-methylpropyl)pyrimidin-4-amine
CID 84591548
2,6-Dimethyl-4-(6-methylpyrimidin-4-YL)morpholine hydrochloride
CID 16876387
4-[4-(Trifluoromethyl)pyrimidin-2-yl]morpholine
CID 2809218
N,N-bis(2-methoxyethyl)-6-methylpyrimidin-4-amine
CID 78843335
4-methyl-2-[(3R)-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]pyrimidine
CID 86802449
4-methyl-6-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine
CID 97605877
2-[(3S)-1-methylpyrrolidin-3-yl]oxy-4-(trifluoromethyl)pyrimidine
CID 164630287
2-Propan-2-yloxy-4-(trifluoromethyl)pyrimidine
CID 17818253
N,N-dimethyl-2-propan-2-yloxy-6-(trifluoromethyl)pyrimidin-4-amine
CID 59637135
1-[4-(Trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol
CID 64586057
4-Morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-amine
CID 83398233

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-methoxypyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-[(3S)-3-methoxypyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidine (CID 164629913) is 4-[(3S)-3-methoxypyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-[(3S)-3-methoxypyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-[(3S)-3-methoxypyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidine is CO[C@H]1CCN(c2cc(C(F)(F)F)ncn2)C1.
What is the InChIKey of 4-[(3S)-3-methoxypyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidine?
The InChIKey is DPHVAUIORHOIRY-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12F3N3O/c1-17-7-2-3-16(5-7)9-4-8(10(11,12)13)14-6-15-9/h4,6-7H,2-3,5H2,1H3/t7-/m0/s1.
What are the key properties of 4-[(3S)-3-methoxypyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidine?
4-[(3S)-3-methoxypyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidine has a molecular weight of 247.22 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-methoxypyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 164629913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).