4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(2-propan-2-ylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide

C24H28N8O2 — CID 59244266

IUPAC4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(2-propan-2-ylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide
SMILESCC(C)c1ccccc1NC(=O)N1CCc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21
InChIInChI=1S/C24H28N8O2/c1-15(2)17-5-3-4-6-19(17)28-24(33)32-8-7-18-20(16-13-26-22(25)27-14-16)29-23(30-21(18)32)31-9-11-34-12-10-31/h3-6,13-15H,7-12H2,1-2H3,(H,28,33)(H2,25,26,27)
InChIKeySDWXGCLOPZJNHT-UHFFFAOYSA-N
MW460.54 g/mol
LogP3.07
Rot. Bonds4

About 4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(2-propan-2-ylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide

4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(2-propan-2-ylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide (PubChem CID 59244266) has the molecular formula C24H28N8O2 and a molecular weight of 460.54 g/mol. Its IUPAC name is 4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(2-propan-2-ylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(2-propan-2-ylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide
PubChem CID59244266
Molecular FormulaC24H28N8O2
Molecular Weight460.54 g/mol
Exact Mass460.23
IUPAC Name4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(2-propan-2-ylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide
SMILESCC(C)c1ccccc1NC(=O)N1CCc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21
InChIInChI=1S/C24H28N8O2/c1-15(2)17-5-3-4-6-19(17)28-24(33)32-8-7-18-20(16-13-26-22(25)27-14-16)29-23(30-21(18)32)31-9-11-34-12-10-31/h3-6,13-15H,7-12H2,1-2H3,(H,28,33)(H2,25,26,27)
InChIKeySDWXGCLOPZJNHT-UHFFFAOYSA-N
XLogP3.07
TPSA122.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(2-propan-2-ylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of 4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(2-propan-2-ylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide (CID 59244266) is 4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(2-propan-2-ylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(2-propan-2-ylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for 4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(2-propan-2-ylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide is CC(C)c1ccccc1NC(=O)N1CCc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21.
What is the InChIKey of 4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(2-propan-2-ylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is SDWXGCLOPZJNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O2/c1-15(2)17-5-3-4-6-19(17)28-24(33)32-8-7-18-20(16-13-26-22(25)27-14-16)29-23(30-21(18)32)31-9-11-34-12-10-31/h3-6,13-15H,7-12H2,1-2H3,(H,28,33)(H2,25,26,27).
What are the key properties of 4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(2-propan-2-ylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide?
4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(2-propan-2-ylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 460.54 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(2-propan-2-ylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 59244266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).