(4S)-4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]piperidin-2-one

C19H24N8O2 — CID 118444263

IUPAC(4S)-4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]piperidin-2-one
SMILESNc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3[C@H]2CCNC(=O)C2)cn1
InChIInChI=1S/C19H24N8O2/c20-18-22-10-12(11-23-18)16-14-2-4-27(13-1-3-21-15(28)9-13)17(14)25-19(24-16)26-5-7-29-8-6-26/h10-11,13H,1-9H2,(H,21,28)(H2,20,22,23)/t13-/m0/s1
InChIKeyCLOXCXKYBGAFMC-ZDUSSCGKSA-N
MW396.46 g/mol
LogP-0.01
Rot. Bonds3

About (4S)-4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]piperidin-2-one

(4S)-4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]piperidin-2-one (PubChem CID 118444263) has the molecular formula C19H24N8O2 and a molecular weight of 396.46 g/mol. Its IUPAC name is (4S)-4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]piperidin-2-one.

Molecular Properties

Compound Name(4S)-4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]piperidin-2-one
PubChem CID118444263
Molecular FormulaC19H24N8O2
Molecular Weight396.46 g/mol
Exact Mass396.20
IUPAC Name(4S)-4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]piperidin-2-one
SMILESNc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3[C@H]2CCNC(=O)C2)cn1
InChIInChI=1S/C19H24N8O2/c20-18-22-10-12(11-23-18)16-14-2-4-27(13-1-3-21-15(28)9-13)17(14)25-19(24-16)26-5-7-29-8-6-26/h10-11,13H,1-9H2,(H,21,28)(H2,20,22,23)/t13-/m0/s1
InChIKeyCLOXCXKYBGAFMC-ZDUSSCGKSA-N
XLogP-0.01
TPSA122.39 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

5-[7-(1-methylsulfonylazetidin-3-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
CID 118444261
(3S)-3-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-N-methylpiperidine-1-sulfonamide
CID 118447092
5-[7-[(3S)-1-ethylsulfonylpiperidin-3-yl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
CID 158462625
4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxylic acid
CID 67385184
[(2R)-2-hydroxypropyl] 3-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]azetidine-1-carboxylate
CID 118444371
1-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]ethanone
CID 59244458
5-(2-morpholin-4-yl-7-propan-2-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrimidin-2-amine
CID 118444322
(1S,4S,5S)-5-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-2-azabicyclo[2.1.1]hexane-2-carboxylic acid
CID 118436425
5-(2-morpholin-4-yl-4-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl)pyrimidin-2-amine
CID 59244878
5-[7-[(3S)-3-methylpyrrolidin-3-yl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
CID 118436188
[(3S)-3-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-3-methylpyrrolidin-1-yl]-[(2S)-azetidin-2-yl]methanone
CID 118436186
5-(2-morpholin-4-yl-5,6,7,9,10,11-hexahydropyrimido[4,5-e][1,4]oxazonin-4-yl)pyrimidin-2-amine
CID 137467848

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]piperidin-2-one?
The IUPAC name of (4S)-4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]piperidin-2-one (CID 118444263) is (4S)-4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]piperidin-2-one.
What is the SMILES notation for (4S)-4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]piperidin-2-one?
The canonical SMILES for (4S)-4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]piperidin-2-one is Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3[C@H]2CCNC(=O)C2)cn1.
What is the InChIKey of (4S)-4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]piperidin-2-one?
The InChIKey is CLOXCXKYBGAFMC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H24N8O2/c20-18-22-10-12(11-23-18)16-14-2-4-27(13-1-3-21-15(28)9-13)17(14)25-19(24-16)26-5-7-29-8-6-26/h10-11,13H,1-9H2,(H,21,28)(H2,20,22,23)/t13-/m0/s1.
What are the key properties of (4S)-4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]piperidin-2-one?
(4S)-4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]piperidin-2-one has a molecular weight of 396.46 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]piperidin-2-one is sourced from PubChem (CID 118444263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).