4-ethoxy-N-[1-[2-ethyl-2-(1-methyl-3-morpholin-4-ylcyclobutyl)hydrazinyl]propan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C22H37N7O2 — CID 163455040

IUPAC4-ethoxy-N-[1-[2-ethyl-2-(1-methyl-3-morpholin-4-ylcyclobutyl)hydrazinyl]propan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCCOc1nc(NC(C)CNN(CC)C2(C)CC(N3CCOCC3)C2)nc2[nH]ccc12
InChIInChI=1S/C22H37N7O2/c1-5-29(22(4)13-17(14-22)28-9-11-30-12-10-28)24-15-16(3)25-21-26-19-18(7-8-23-19)20(27-21)31-6-2/h7-8,16-17,24H,5-6,9-15H2,1-4H3,(H2,23,25,26,27)
InChIKeyBJSFOEAHCZNEJK-UHFFFAOYSA-N
MW431.59 g/mol
LogP2.24
Rot. Bonds10

About 4-ethoxy-N-[1-[2-ethyl-2-(1-methyl-3-morpholin-4-ylcyclobutyl)hydrazinyl]propan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine

4-ethoxy-N-[1-[2-ethyl-2-(1-methyl-3-morpholin-4-ylcyclobutyl)hydrazinyl]propan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 163455040) has the molecular formula C22H37N7O2 and a molecular weight of 431.59 g/mol. Its IUPAC name is 4-ethoxy-N-[1-[2-ethyl-2-(1-methyl-3-morpholin-4-ylcyclobutyl)hydrazinyl]propan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-[1-[2-ethyl-2-(1-methyl-3-morpholin-4-ylcyclobutyl)hydrazinyl]propan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID163455040
Molecular FormulaC22H37N7O2
Molecular Weight431.59 g/mol
Exact Mass431.30
IUPAC Name4-ethoxy-N-[1-[2-ethyl-2-(1-methyl-3-morpholin-4-ylcyclobutyl)hydrazinyl]propan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCCOc1nc(NC(C)CNN(CC)C2(C)CC(N3CCOCC3)C2)nc2[nH]ccc12
InChIInChI=1S/C22H37N7O2/c1-5-29(22(4)13-17(14-22)28-9-11-30-12-10-28)24-15-16(3)25-21-26-19-18(7-8-23-19)20(27-21)31-6-2/h7-8,16-17,24H,5-6,9-15H2,1-4H3,(H2,23,25,26,27)
InChIKeyBJSFOEAHCZNEJK-UHFFFAOYSA-N
XLogP2.24
TPSA90.57 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.59
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-ethoxy-N-[1-[2-ethyl-2-(1-methyl-3-morpholin-4-ylcyclobutyl)hydrazinyl]propan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[1-[2-ethyl-2-(1-methyl-3-morpholin-4-ylcyclobutyl)hydrazinyl]propan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-ethoxy-N-[1-[2-ethyl-2-(1-methyl-3-morpholin-4-ylcyclobutyl)hydrazinyl]propan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 163455040) is 4-ethoxy-N-[1-[2-ethyl-2-(1-methyl-3-morpholin-4-ylcyclobutyl)hydrazinyl]propan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-N-[1-[2-ethyl-2-(1-methyl-3-morpholin-4-ylcyclobutyl)hydrazinyl]propan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-N-[1-[2-ethyl-2-(1-methyl-3-morpholin-4-ylcyclobutyl)hydrazinyl]propan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine is CCOc1nc(NC(C)CNN(CC)C2(C)CC(N3CCOCC3)C2)nc2[nH]ccc12.
What is the InChIKey of 4-ethoxy-N-[1-[2-ethyl-2-(1-methyl-3-morpholin-4-ylcyclobutyl)hydrazinyl]propan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is BJSFOEAHCZNEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N7O2/c1-5-29(22(4)13-17(14-22)28-9-11-30-12-10-28)24-15-16(3)25-21-26-19-18(7-8-23-19)20(27-21)31-6-2/h7-8,16-17,24H,5-6,9-15H2,1-4H3,(H2,23,25,26,27).
What are the key properties of 4-ethoxy-N-[1-[2-ethyl-2-(1-methyl-3-morpholin-4-ylcyclobutyl)hydrazinyl]propan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
4-ethoxy-N-[1-[2-ethyl-2-(1-methyl-3-morpholin-4-ylcyclobutyl)hydrazinyl]propan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 431.59 g/mol, XLogP of 2.24, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[1-[2-ethyl-2-(1-methyl-3-morpholin-4-ylcyclobutyl)hydrazinyl]propan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 163455040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).