5-[7-[(3S)-1-cyclopentyl-3-methylpyrrolidin-3-yl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine

C24H34N8O — CID 118436161

IUPAC5-[7-[(3S)-1-cyclopentyl-3-methylpyrrolidin-3-yl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
SMILESC[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C2CCCC2)C1
InChIInChI=1S/C24H34N8O/c1-24(7-9-31(16-24)18-4-2-3-5-18)32-8-6-19-20(17-14-26-22(25)27-15-17)28-23(29-21(19)32)30-10-12-33-13-11-30/h14-15,18H,2-13,16H2,1H3,(H2,25,26,27)/t24-/m0/s1
InChIKeyVWUWOPJTEKQRPR-DEOSSOPVSA-N
MW450.59 g/mol
LogP2.12
Rot. Bonds4

About 5-[7-[(3S)-1-cyclopentyl-3-methylpyrrolidin-3-yl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine

5-[7-[(3S)-1-cyclopentyl-3-methylpyrrolidin-3-yl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine (PubChem CID 118436161) has the molecular formula C24H34N8O and a molecular weight of 450.59 g/mol. Its IUPAC name is 5-[7-[(3S)-1-cyclopentyl-3-methylpyrrolidin-3-yl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[7-[(3S)-1-cyclopentyl-3-methylpyrrolidin-3-yl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
PubChem CID118436161
Molecular FormulaC24H34N8O
Molecular Weight450.59 g/mol
Exact Mass450.29
IUPAC Name5-[7-[(3S)-1-cyclopentyl-3-methylpyrrolidin-3-yl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
SMILESC[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C2CCCC2)C1
InChIInChI=1S/C24H34N8O/c1-24(7-9-31(16-24)18-4-2-3-5-18)32-8-6-19-20(17-14-26-22(25)27-15-17)28-23(29-21(19)32)30-10-12-33-13-11-30/h14-15,18H,2-13,16H2,1H3,(H2,25,26,27)/t24-/m0/s1
InChIKeyVWUWOPJTEKQRPR-DEOSSOPVSA-N
XLogP2.12
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.59
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[7-[(3S)-1-cyclopentyl-3-methylpyrrolidin-3-yl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine?
The IUPAC name of 5-[7-[(3S)-1-cyclopentyl-3-methylpyrrolidin-3-yl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine (CID 118436161) is 5-[7-[(3S)-1-cyclopentyl-3-methylpyrrolidin-3-yl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[7-[(3S)-1-cyclopentyl-3-methylpyrrolidin-3-yl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[7-[(3S)-1-cyclopentyl-3-methylpyrrolidin-3-yl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine is C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C2CCCC2)C1.
What is the InChIKey of 5-[7-[(3S)-1-cyclopentyl-3-methylpyrrolidin-3-yl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine?
The InChIKey is VWUWOPJTEKQRPR-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H34N8O/c1-24(7-9-31(16-24)18-4-2-3-5-18)32-8-6-19-20(17-14-26-22(25)27-15-17)28-23(29-21(19)32)30-10-12-33-13-11-30/h14-15,18H,2-13,16H2,1H3,(H2,25,26,27)/t24-/m0/s1.
What are the key properties of 5-[7-[(3S)-1-cyclopentyl-3-methylpyrrolidin-3-yl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine?
5-[7-[(3S)-1-cyclopentyl-3-methylpyrrolidin-3-yl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine has a molecular weight of 450.59 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-[(3S)-1-cyclopentyl-3-methylpyrrolidin-3-yl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 118436161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).