2-chloro-4-[(3S)-3-methoxypyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidin-5-amine

C10H12ClF3N4O — CID 138048066

IUPAC2-chloro-4-[(3S)-3-methoxypyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidin-5-amine
SMILESCO[C@H]1CCN(c2nc(Cl)nc(C(F)(F)F)c2N)C1
InChIInChI=1S/C10H12ClF3N4O/c1-19-5-2-3-18(4-5)8-6(15)7(10(12,13)14)16-9(11)17-8/h5H,2-4,15H2,1H3/t5-/m0/s1
InChIKeyLSQNORLKYFZYGI-YFKPBYRVSA-N
MW296.68 g/mol
LogP1.96
Rot. Bonds2

About 2-chloro-4-[(3S)-3-methoxypyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidin-5-amine

2-chloro-4-[(3S)-3-methoxypyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidin-5-amine (PubChem CID 138048066) has the molecular formula C10H12ClF3N4O and a molecular weight of 296.68 g/mol. Its IUPAC name is 2-chloro-4-[(3S)-3-methoxypyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidin-5-amine.

Molecular Properties

Compound Name2-chloro-4-[(3S)-3-methoxypyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidin-5-amine
PubChem CID138048066
Molecular FormulaC10H12ClF3N4O
Molecular Weight296.68 g/mol
Exact Mass296.07
IUPAC Name2-chloro-4-[(3S)-3-methoxypyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidin-5-amine
SMILESCO[C@H]1CCN(c2nc(Cl)nc(C(F)(F)F)c2N)C1
InChIInChI=1S/C10H12ClF3N4O/c1-19-5-2-3-18(4-5)8-6(15)7(10(12,13)14)16-9(11)17-8/h5H,2-4,15H2,1H3/t5-/m0/s1
InChIKeyLSQNORLKYFZYGI-YFKPBYRVSA-N
XLogP1.96
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.68
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N~4~-[rac-(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-6-methylpyrimidine-2,4-diamine
CID 122569183
6-(3,3-Difluoropyrrolidin-1-yl)-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidine-4,5-diamine
CID 123837717
6-(3,3-difluoropyrrolidin-1-yl)-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyrimidine-4,5-diamine
CID 137381110
[(3S)-1-(5-propan-2-yloxy-3H-pyrazolo[4,3-d]pyrimidin-7-yl)pyrrolidin-3-yl] 2,2,2-trifluoroacetate
CID 146861709
(3S)-1-[5-(2,2,2-trifluoroethoxy)-3H-pyrazolo[4,3-d]pyrimidin-7-yl]pyrrolidin-3-ol
CID 146915933
7-(3,3-difluoropyrrolidin-1-yl)-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3H-pyrazolo[4,3-d]pyrimidine
CID 157578346
4,5-Diamino-6-methyl-2-morpholinopyrimidine
CID 13665783
2-Chloro-4-(3,4-dimethoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidine
CID 103536671
N-ethyl-4-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 103541858
4-(3-methoxypyrrolidin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 103541859
4-(3-methoxypyrrolidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 103541860
4-(3,4-Dimethoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 103541947

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(3S)-3-methoxypyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidin-5-amine?
The IUPAC name of 2-chloro-4-[(3S)-3-methoxypyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidin-5-amine (CID 138048066) is 2-chloro-4-[(3S)-3-methoxypyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidin-5-amine.
What is the SMILES notation for 2-chloro-4-[(3S)-3-methoxypyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidin-5-amine?
The canonical SMILES for 2-chloro-4-[(3S)-3-methoxypyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidin-5-amine is CO[C@H]1CCN(c2nc(Cl)nc(C(F)(F)F)c2N)C1.
What is the InChIKey of 2-chloro-4-[(3S)-3-methoxypyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidin-5-amine?
The InChIKey is LSQNORLKYFZYGI-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H12ClF3N4O/c1-19-5-2-3-18(4-5)8-6(15)7(10(12,13)14)16-9(11)17-8/h5H,2-4,15H2,1H3/t5-/m0/s1.
What are the key properties of 2-chloro-4-[(3S)-3-methoxypyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidin-5-amine?
2-chloro-4-[(3S)-3-methoxypyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidin-5-amine has a molecular weight of 296.68 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(3S)-3-methoxypyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidin-5-amine is sourced from PubChem (CID 138048066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).