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

C23H26N8O2 — CID 59244371

IUPAC4-(2-aminopyrimidin-5-yl)-N-(2-ethylphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide
SMILESCCc1ccccc1NC(=O)N1CCc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21
InChIInChI=1S/C23H26N8O2/c1-2-15-5-3-4-6-18(15)27-23(32)31-8-7-17-19(16-13-25-21(24)26-14-16)28-22(29-20(17)31)30-9-11-33-12-10-30/h3-6,13-14H,2,7-12H2,1H3,(H,27,32)(H2,24,25,26)
InChIKeyIATYEHMDPAHFJW-UHFFFAOYSA-N
MW446.52 g/mol
LogP2.51
Rot. Bonds4

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

4-(2-aminopyrimidin-5-yl)-N-(2-ethylphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide (PubChem CID 59244371) has the molecular formula C23H26N8O2 and a molecular weight of 446.52 g/mol. Its IUPAC name is 4-(2-aminopyrimidin-5-yl)-N-(2-ethylphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name4-(2-aminopyrimidin-5-yl)-N-(2-ethylphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide
PubChem CID59244371
Molecular FormulaC23H26N8O2
Molecular Weight446.52 g/mol
Exact Mass446.22
IUPAC Name4-(2-aminopyrimidin-5-yl)-N-(2-ethylphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide
SMILESCCc1ccccc1NC(=O)N1CCc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21
InChIInChI=1S/C23H26N8O2/c1-2-15-5-3-4-6-18(15)27-23(32)31-8-7-17-19(16-13-25-21(24)26-14-16)28-22(29-20(17)31)30-9-11-33-12-10-30/h3-6,13-14H,2,7-12H2,1H3,(H,27,32)(H2,24,25,26)
InChIKeyIATYEHMDPAHFJW-UHFFFAOYSA-N
XLogP2.51
TPSA122.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.52
LogP ≤ 52.51
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)-N-(2-ethylphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of 4-(2-aminopyrimidin-5-yl)-N-(2-ethylphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide (CID 59244371) is 4-(2-aminopyrimidin-5-yl)-N-(2-ethylphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 4-(2-aminopyrimidin-5-yl)-N-(2-ethylphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for 4-(2-aminopyrimidin-5-yl)-N-(2-ethylphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide is CCc1ccccc1NC(=O)N1CCc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21.
What is the InChIKey of 4-(2-aminopyrimidin-5-yl)-N-(2-ethylphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is IATYEHMDPAHFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O2/c1-2-15-5-3-4-6-18(15)27-23(32)31-8-7-17-19(16-13-25-21(24)26-14-16)28-22(29-20(17)31)30-9-11-33-12-10-30/h3-6,13-14H,2,7-12H2,1H3,(H,27,32)(H2,24,25,26).
What are the key properties of 4-(2-aminopyrimidin-5-yl)-N-(2-ethylphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide?
4-(2-aminopyrimidin-5-yl)-N-(2-ethylphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 446.52 g/mol, XLogP of 2.51, 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)-N-(2-ethylphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 59244371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).