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

C23H26N8O2 — CID 154005637

IUPAC4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(2-phenylethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide
SMILESNc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3C(=O)NCCc2ccccc2)cn1
InChIInChI=1S/C23H26N8O2/c24-21-26-14-17(15-27-21)19-18-7-9-31(23(32)25-8-6-16-4-2-1-3-5-16)20(18)29-22(28-19)30-10-12-33-13-11-30/h1-5,14-15H,6-13H2,(H,25,32)(H2,24,26,27)
InChIKeyHWOFBCVZIFVVOW-UHFFFAOYSA-N
MW446.52 g/mol
LogP1.67
Rot. Bonds5

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

4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(2-phenylethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide (PubChem CID 154005637) has the molecular formula C23H26N8O2 and a molecular weight of 446.52 g/mol. Its IUPAC name is 4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(2-phenylethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(2-phenylethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide
PubChem CID154005637
Molecular FormulaC23H26N8O2
Molecular Weight446.52 g/mol
Exact Mass446.22
IUPAC Name4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(2-phenylethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide
SMILESNc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3C(=O)NCCc2ccccc2)cn1
InChIInChI=1S/C23H26N8O2/c24-21-26-14-17(15-27-21)19-18-7-9-31(23(32)25-8-6-16-4-2-1-3-5-16)20(18)29-22(28-19)30-10-12-33-13-11-30/h1-5,14-15H,6-13H2,(H,25,32)(H2,24,26,27)
InChIKeyHWOFBCVZIFVVOW-UHFFFAOYSA-N
XLogP1.67
TPSA122.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.52
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxylic acid
CID 67385184
4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carbothioic S-acid;benzamide
CID 87380318
1-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]ethanone
CID 59244458
4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-3-(fluoromethyl)-N-(2-pyridin-3-ylethyl)benzamide
CID 90739175
1-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-4-morpholin-4-ylbutane-1,2-dione
CID 67386325
4-(2-aminopyrimidin-5-yl)-N-[4-[methyl(3-morpholin-4-ylpropyl)amino]phenyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide
CID 59244512
3-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-N-(2-hydroxyethyl)benzenesulfonamide
CID 59244440
N-[4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide
CID 59244650
2-[4-[2-[4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]phenyl]ethyl]piperazin-1-yl]acetaldehyde
CID 87380320
4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-3-(fluoromethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 91532821
4-(2-aminopyrimidin-5-yl)-N-[4-[2-[2-hydroxyethyl(methyl)amino]ethylamino]phenyl]-N-methyl-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide
CID 71017236
methyl 3-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]benzoate
CID 59244356

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(2-phenylethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of 4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(2-phenylethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide (CID 154005637) is 4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(2-phenylethyl)-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-phenylethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for 4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(2-phenylethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide is Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3C(=O)NCCc2ccccc2)cn1.
What is the InChIKey of 4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(2-phenylethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is HWOFBCVZIFVVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O2/c24-21-26-14-17(15-27-21)19-18-7-9-31(23(32)25-8-6-16-4-2-1-3-5-16)20(18)29-22(28-19)30-10-12-33-13-11-30/h1-5,14-15H,6-13H2,(H,25,32)(H2,24,26,27).
What are the key properties of 4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(2-phenylethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide?
4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(2-phenylethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 446.52 g/mol, XLogP of 1.67, 5 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-phenylethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 154005637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).