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

C17H23N7O — CID 118444322

IUPAC5-(2-morpholin-4-yl-7-propan-2-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrimidin-2-amine
SMILESCC(C)N1CCc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21
InChIInChI=1S/C17H23N7O/c1-11(2)24-4-3-13-14(12-9-19-16(18)20-10-12)21-17(22-15(13)24)23-5-7-25-8-6-23/h9-11H,3-8H2,1-2H3,(H2,18,19,20)
InChIKeyNTIOECDYJKVAPZ-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.12
Rot. Bonds3

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

5-(2-morpholin-4-yl-7-propan-2-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrimidin-2-amine (PubChem CID 118444322) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 5-(2-morpholin-4-yl-7-propan-2-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(2-morpholin-4-yl-7-propan-2-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrimidin-2-amine
PubChem CID118444322
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name5-(2-morpholin-4-yl-7-propan-2-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrimidin-2-amine
SMILESCC(C)N1CCc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21
InChIInChI=1S/C17H23N7O/c1-11(2)24-4-3-13-14(12-9-19-16(18)20-10-12)21-17(22-15(13)24)23-5-7-25-8-6-23/h9-11H,3-8H2,1-2H3,(H2,18,19,20)
InChIKeyNTIOECDYJKVAPZ-UHFFFAOYSA-N
XLogP1.12
TPSA93.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]ethanone
CID 59244458
5-[7-(2-methylpentan-2-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
CID 118444373
4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxylic acid
CID 67385184
4-(4-chloro-7-propan-2-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine
CID 170985406
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
5-[7-(1-methylsulfonylazetidin-3-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
CID 118444261
N-[4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide
CID 59244650
5-[7-(3-methylpiperidin-3-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine;hydrochloride
CID 118436304
1-[(3R)-3-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-3-methylpyrrolidin-1-yl]ethanone
CID 118436386
4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-3-methylbenzonitrile
CID 59244834
[(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

Frequently Asked Questions

What is the IUPAC name of 5-(2-morpholin-4-yl-7-propan-2-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrimidin-2-amine?
The IUPAC name of 5-(2-morpholin-4-yl-7-propan-2-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrimidin-2-amine (CID 118444322) is 5-(2-morpholin-4-yl-7-propan-2-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-propan-2-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrimidin-2-amine?
The canonical SMILES for 5-(2-morpholin-4-yl-7-propan-2-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrimidin-2-amine is CC(C)N1CCc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21.
What is the InChIKey of 5-(2-morpholin-4-yl-7-propan-2-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrimidin-2-amine?
The InChIKey is NTIOECDYJKVAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-11(2)24-4-3-13-14(12-9-19-16(18)20-10-12)21-17(22-15(13)24)23-5-7-25-8-6-23/h9-11H,3-8H2,1-2H3,(H2,18,19,20).
What are the key properties of 5-(2-morpholin-4-yl-7-propan-2-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrimidin-2-amine?
5-(2-morpholin-4-yl-7-propan-2-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrimidin-2-amine has a molecular weight of 341.42 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-morpholin-4-yl-7-propan-2-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 118444322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).