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

C12H16F3N5O — CID 122456391

IUPAC(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
InChIInChI=1S/C12H16F3N5O/c13-12(14,15)11(21)3-4-20(6-11)9-5-8(17-7-1-2-7)18-10(16)19-9/h5,7,21H,1-4,6H2,(H3,16,17,18,19)/t11-/m1/s1
InChIKeyFBVZVSNDEVGEMX-LLVKDONJSA-N
MW303.29 g/mol
LogP1.14
Rot. Bonds3

About (3R)-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 122456391) has the molecular formula C12H16F3N5O and a molecular weight of 303.29 g/mol. Its IUPAC name is (3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol
PubChem CID122456391
Molecular FormulaC12H16F3N5O
Molecular Weight303.29 g/mol
Exact Mass303.13
IUPAC Name(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
InChIInChI=1S/C12H16F3N5O/c13-12(14,15)11(21)3-4-20(6-11)9-5-8(17-7-1-2-7)18-10(16)19-9/h5,7,21H,1-4,6H2,(H3,16,17,18,19)/t11-/m1/s1
InChIKeyFBVZVSNDEVGEMX-LLVKDONJSA-N
XLogP1.14
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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
6-(3,3-difluoropyrrolidin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 122456421
4-N-(cyclopropylmethyl)-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 122456433
4-N-cyclopropyl-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrimidine-2,4-diamine
CID 122456453
4-N-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 122491392
(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
1-[6-(Cyclopropylmethylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol
CID 75496473
(3R)-1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol
CID 97790796
(3S)-1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol
CID 97790797
1-[2-(Ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol
CID 103358897
3-Methyl-1-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 103358898

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol (CID 122456391) is (3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol?
The canonical SMILES for (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.
What is the InChIKey of (3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol?
The InChIKey is FBVZVSNDEVGEMX-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16F3N5O/c13-12(14,15)11(21)3-4-20(6-11)9-5-8(17-7-1-2-7)18-10(16)19-9/h5,7,21H,1-4,6H2,(H3,16,17,18,19)/t11-/m1/s1.
What are the key properties of (3R)-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 303.29 g/mol, XLogP of 1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol is sourced from PubChem (CID 122456391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).