N-[4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide

C22H24N8O2 — CID 59244650

IUPACN-[4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)cc1
InChIInChI=1S/C22H24N8O2/c1-14(31)26-16-2-4-17(5-3-16)30-7-6-18-19(15-12-24-21(23)25-13-15)27-22(28-20(18)30)29-8-10-32-11-9-29/h2-5,12-13H,6-11H2,1H3,(H,26,31)(H2,23,24,25)
InChIKeyHNNXYYJJBRBHEB-UHFFFAOYSA-N
MW432.49 g/mol
LogP2.01
Rot. Bonds4

About N-[4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide

N-[4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide (PubChem CID 59244650) has the molecular formula C22H24N8O2 and a molecular weight of 432.49 g/mol. Its IUPAC name is N-[4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide
PubChem CID59244650
Molecular FormulaC22H24N8O2
Molecular Weight432.49 g/mol
Exact Mass432.20
IUPAC NameN-[4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)cc1
InChIInChI=1S/C22H24N8O2/c1-14(31)26-16-2-4-17(5-3-16)30-7-6-18-19(15-12-24-21(23)25-13-15)27-22(28-20(18)30)29-8-10-32-11-9-29/h2-5,12-13H,6-11H2,1H3,(H,26,31)(H2,23,24,25)
InChIKeyHNNXYYJJBRBHEB-UHFFFAOYSA-N
XLogP2.01
TPSA122.39 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze N-[4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]benzoate
CID 59244356
1-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]ethanone
CID 59244458
4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxylic acid
CID 67385184
N-[2-[[4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]sulfanyl]ethyl]acetamide
CID 59244937
N-[3-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]phenyl]methanesulfonamide
CID 59244894
5-(2-morpholin-4-yl-4-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl)pyrimidin-2-amine
CID 59244878
methyl 3-[4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]benzoate
CID 59245015
[5-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 59244568
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]-N-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 59244309
5-[7-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
CID 45258864
4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-[4-(piperazine-1-carbonyl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carbothioamide
CID 89191214

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide?
The IUPAC name of N-[4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide (CID 59244650) is N-[4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide is CC(=O)Nc1ccc(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)cc1.
What is the InChIKey of N-[4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide?
The InChIKey is HNNXYYJJBRBHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O2/c1-14(31)26-16-2-4-17(5-3-16)30-7-6-18-19(15-12-24-21(23)25-13-15)27-22(28-20(18)30)29-8-10-32-11-9-29/h2-5,12-13H,6-11H2,1H3,(H,26,31)(H2,23,24,25).
What are the key properties of N-[4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide?
N-[4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide has a molecular weight of 432.49 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide is sourced from PubChem (CID 59244650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).