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

C18H24N8O — CID 162647172

IUPAC5-[2-morpholin-4-yl-7-[(3S)-pyrrolidin-3-yl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
SMILESNc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3[C@H]2CCNC2)cn1
InChIInChI=1S/C18H24N8O/c19-17-21-9-12(10-22-17)15-14-2-4-26(13-1-3-20-11-13)16(14)24-18(23-15)25-5-7-27-8-6-25/h9-10,13,20H,1-8,11H2,(H2,19,21,22)/t13-/m0/s1
InChIKeyYOLPRRNNZJSPRL-ZDUSSCGKSA-N
MW368.45 g/mol
LogP0.08
Rot. Bonds3

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

5-[2-morpholin-4-yl-7-[(3S)-pyrrolidin-3-yl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine (PubChem CID 162647172) has the molecular formula C18H24N8O and a molecular weight of 368.45 g/mol. Its IUPAC name is 5-[2-morpholin-4-yl-7-[(3S)-pyrrolidin-3-yl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-morpholin-4-yl-7-[(3S)-pyrrolidin-3-yl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
PubChem CID162647172
Molecular FormulaC18H24N8O
Molecular Weight368.45 g/mol
Exact Mass368.21
IUPAC Name5-[2-morpholin-4-yl-7-[(3S)-pyrrolidin-3-yl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
SMILESNc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3[C@H]2CCNC2)cn1
InChIInChI=1S/C18H24N8O/c19-17-21-9-12(10-22-17)15-14-2-4-26(13-1-3-20-11-13)16(14)24-18(23-15)25-5-7-27-8-6-25/h9-10,13,20H,1-8,11H2,(H2,19,21,22)/t13-/m0/s1
InChIKeyYOLPRRNNZJSPRL-ZDUSSCGKSA-N
XLogP0.08
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[2-morpholin-4-yl-7-[(3S)-pyrrolidin-3-yl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine?
The IUPAC name of 5-[2-morpholin-4-yl-7-[(3S)-pyrrolidin-3-yl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine (CID 162647172) is 5-[2-morpholin-4-yl-7-[(3S)-pyrrolidin-3-yl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[2-morpholin-4-yl-7-[(3S)-pyrrolidin-3-yl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[2-morpholin-4-yl-7-[(3S)-pyrrolidin-3-yl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine is Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3[C@H]2CCNC2)cn1.
What is the InChIKey of 5-[2-morpholin-4-yl-7-[(3S)-pyrrolidin-3-yl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine?
The InChIKey is YOLPRRNNZJSPRL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H24N8O/c19-17-21-9-12(10-22-17)15-14-2-4-26(13-1-3-20-11-13)16(14)24-18(23-15)25-5-7-27-8-6-25/h9-10,13,20H,1-8,11H2,(H2,19,21,22)/t13-/m0/s1.
What are the key properties of 5-[2-morpholin-4-yl-7-[(3S)-pyrrolidin-3-yl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine?
5-[2-morpholin-4-yl-7-[(3S)-pyrrolidin-3-yl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine has a molecular weight of 368.45 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-morpholin-4-yl-7-[(3S)-pyrrolidin-3-yl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 162647172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).