(3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol;(3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol

C24H32F6N10O2 — CID 160745631

IUPAC(3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol;(3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESNc1nc(NC2CC2)cc(N2CC[C@@](O)(C(F)(F)F)C2)n1.Nc1nc(NC2CC2)cc(N2CC[C@](O)(C(F)(F)F)C2)n1
InChIInChI=1S/2C12H16F3N5O/c2*13-12(14,15)11(21)3-4-20(6-11)9-5-8(17-7-1-2-7)18-10(16)19-9/h2*5,7,21H,1-4,6H2,(H3,16,17,18,19)/t2*11-/m10/s1
InChIKeyRWDSMYCBQYNRQV-FGYXOPSTSA-N
MW606.58 g/mol
LogP2.27
Rot. Bonds6

About (3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol;(3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol

(3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol;(3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol (PubChem CID 160745631) has the molecular formula C24H32F6N10O2 and a molecular weight of 606.58 g/mol. Its IUPAC name is (3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol;(3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol;(3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol
PubChem CID160745631
Molecular FormulaC24H32F6N10O2
Molecular Weight606.58 g/mol
Exact Mass606.26
IUPAC Name(3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol;(3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESNc1nc(NC2CC2)cc(N2CC[C@@](O)(C(F)(F)F)C2)n1.Nc1nc(NC2CC2)cc(N2CC[C@](O)(C(F)(F)F)C2)n1
InChIInChI=1S/2C12H16F3N5O/c2*13-12(14,15)11(21)3-4-20(6-11)9-5-8(17-7-1-2-7)18-10(16)19-9/h2*5,7,21H,1-4,6H2,(H3,16,17,18,19)/t2*11-/m10/s1
InChIKeyRWDSMYCBQYNRQV-FGYXOPSTSA-N
XLogP2.27
TPSA174.60 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500606.58
LogP ≤ 52.27
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Analyze (3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol;(3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol
CID 122456345
1-[2-Amino-6-(cyclopropylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol
CID 122456346
(3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol
CID 122456391
[1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol;6-(3,3-difluoropyrrolidin-1-yl)-4-N-methylpyrimidine-2,4-diamine
CID 122456401
4-N-(cyclopropylmethyl)-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine-2,4-diamine;6-(3,3-difluoropyrrolidin-1-yl)-4-N-propylpyrimidine-2,4-diamine
CID 160111690
[(3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol;6-(3,3-difluoropyrrolidin-1-yl)-4-N-ethylpyrimidine-2,4-diamine
CID 161802835
1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-3-ethylpyrrolidin-3-ol;4-N-cyclopropyl-6-(2,3-dimethylpyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 157727378
[(3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol;[(3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol
CID 158471711
(3S,5R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-5-methylpyrrolidin-3-ol;(3R,5S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-5-methylpyrrolidin-3-ol
CID 159905299
1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol;(3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 161716943

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol;(3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol;(3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol (CID 160745631) is (3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol;(3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol;(3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol;(3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol is Nc1nc(NC2CC2)cc(N2CC[C@@](O)(C(F)(F)F)C2)n1.Nc1nc(NC2CC2)cc(N2CC[C@](O)(C(F)(F)F)C2)n1.
What is the InChIKey of (3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol;(3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol?
The InChIKey is RWDSMYCBQYNRQV-FGYXOPSTSA-N. The full InChI is InChI=1S/2C12H16F3N5O/c2*13-12(14,15)11(21)3-4-20(6-11)9-5-8(17-7-1-2-7)18-10(16)19-9/h2*5,7,21H,1-4,6H2,(H3,16,17,18,19)/t2*11-/m10/s1.
What are the key properties of (3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol;(3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol?
(3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol;(3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol has a molecular weight of 606.58 g/mol, XLogP of 2.27, 6 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol;(3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol is sourced from PubChem (CID 160745631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).