5-[7-(3,3-difluorocyclopentyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine

C19H23F2N7O — CID 118444214

IUPAC5-[7-(3,3-difluorocyclopentyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
SMILESNc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3C2CCC(F)(F)C2)cn1
InChIInChI=1S/C19H23F2N7O/c20-19(21)3-1-13(9-19)28-4-2-14-15(12-10-23-17(22)24-11-12)25-18(26-16(14)28)27-5-7-29-8-6-27/h10-11,13H,1-9H2,(H2,22,23,24)
InChIKeyFCEMYNAOIMAJTI-UHFFFAOYSA-N
MW403.44 g/mol
LogP1.90
Rot. Bonds3

About 5-[7-(3,3-difluorocyclopentyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine

5-[7-(3,3-difluorocyclopentyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine (PubChem CID 118444214) has the molecular formula C19H23F2N7O and a molecular weight of 403.44 g/mol. Its IUPAC name is 5-[7-(3,3-difluorocyclopentyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[7-(3,3-difluorocyclopentyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
PubChem CID118444214
Molecular FormulaC19H23F2N7O
Molecular Weight403.44 g/mol
Exact Mass403.19
IUPAC Name5-[7-(3,3-difluorocyclopentyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
SMILESNc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3C2CCC(F)(F)C2)cn1
InChIInChI=1S/C19H23F2N7O/c20-19(21)3-1-13(9-19)28-4-2-14-15(12-10-23-17(22)24-11-12)25-18(26-16(14)28)27-5-7-29-8-6-27/h10-11,13H,1-9H2,(H2,22,23,24)
InChIKeyFCEMYNAOIMAJTI-UHFFFAOYSA-N
XLogP1.90
TPSA93.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[7-(3,3-difluorocyclopentyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine?
The IUPAC name of 5-[7-(3,3-difluorocyclopentyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine (CID 118444214) is 5-[7-(3,3-difluorocyclopentyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[7-(3,3-difluorocyclopentyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[7-(3,3-difluorocyclopentyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine is Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3C2CCC(F)(F)C2)cn1.
What is the InChIKey of 5-[7-(3,3-difluorocyclopentyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine?
The InChIKey is FCEMYNAOIMAJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N7O/c20-19(21)3-1-13(9-19)28-4-2-14-15(12-10-23-17(22)24-11-12)25-18(26-16(14)28)27-5-7-29-8-6-27/h10-11,13H,1-9H2,(H2,22,23,24).
What are the key properties of 5-[7-(3,3-difluorocyclopentyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine?
5-[7-(3,3-difluorocyclopentyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine has a molecular weight of 403.44 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(3,3-difluorocyclopentyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 118444214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).