5,5-dimethyl-2-(oxan-4-ylamino)-N-[(3R)-piperidin-3-yl]-2,3,7,7a-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-6-carbohydrazide

C19H35N7O2 — CID 122643208

IUPAC5,5-dimethyl-2-(oxan-4-ylamino)-N-[(3R)-piperidin-3-yl]-2,3,7,7a-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-6-carbohydrazide
SMILESCC1(C)C2=CNC(NC3CCOCC3)NC2CN1C(=O)N(N)[C@@H]1CCCNC1
InChIInChI=1S/C19H35N7O2/c1-19(2)15-11-22-17(23-13-5-8-28-9-6-13)24-16(15)12-25(19)18(27)26(20)14-4-3-7-21-10-14/h11,13-14,16-17,21-24H,3-10,12,20H2,1-2H3/t14-,16?,17?/m1/s1
InChIKeyGLENKAGMNIOSIU-ODIFPOPNSA-N
MW393.54 g/mol
LogP-0.37
Rot. Bonds3

About 5,5-dimethyl-2-(oxan-4-ylamino)-N-[(3R)-piperidin-3-yl]-2,3,7,7a-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-6-carbohydrazide

5,5-dimethyl-2-(oxan-4-ylamino)-N-[(3R)-piperidin-3-yl]-2,3,7,7a-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-6-carbohydrazide (PubChem CID 122643208) has the molecular formula C19H35N7O2 and a molecular weight of 393.54 g/mol. Its IUPAC name is 5,5-dimethyl-2-(oxan-4-ylamino)-N-[(3R)-piperidin-3-yl]-2,3,7,7a-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-6-carbohydrazide.

Molecular Properties

Compound Name5,5-dimethyl-2-(oxan-4-ylamino)-N-[(3R)-piperidin-3-yl]-2,3,7,7a-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-6-carbohydrazide
PubChem CID122643208
Molecular FormulaC19H35N7O2
Molecular Weight393.54 g/mol
Exact Mass393.29
IUPAC Name5,5-dimethyl-2-(oxan-4-ylamino)-N-[(3R)-piperidin-3-yl]-2,3,7,7a-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-6-carbohydrazide
SMILESCC1(C)C2=CNC(NC3CCOCC3)NC2CN1C(=O)N(N)[C@@H]1CCCNC1
InChIInChI=1S/C19H35N7O2/c1-19(2)15-11-22-17(23-13-5-8-28-9-6-13)24-16(15)12-25(19)18(27)26(20)14-4-3-7-21-10-14/h11,13-14,16-17,21-24H,3-10,12,20H2,1-2H3/t14-,16?,17?/m1/s1
InChIKeyGLENKAGMNIOSIU-ODIFPOPNSA-N
XLogP-0.37
TPSA106.92 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 5-0.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5,5-dimethyl-2-(oxan-4-ylamino)-N-[(3R)-piperidin-3-yl]-2,3,7,7a-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-6-carbohydrazide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-(oxan-4-ylamino)-N-[(3R)-piperidin-3-yl]-2,3,7,7a-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-6-carbohydrazide?
The IUPAC name of 5,5-dimethyl-2-(oxan-4-ylamino)-N-[(3R)-piperidin-3-yl]-2,3,7,7a-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-6-carbohydrazide (CID 122643208) is 5,5-dimethyl-2-(oxan-4-ylamino)-N-[(3R)-piperidin-3-yl]-2,3,7,7a-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-6-carbohydrazide.
What is the SMILES notation for 5,5-dimethyl-2-(oxan-4-ylamino)-N-[(3R)-piperidin-3-yl]-2,3,7,7a-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-6-carbohydrazide?
The canonical SMILES for 5,5-dimethyl-2-(oxan-4-ylamino)-N-[(3R)-piperidin-3-yl]-2,3,7,7a-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-6-carbohydrazide is CC1(C)C2=CNC(NC3CCOCC3)NC2CN1C(=O)N(N)[C@@H]1CCCNC1.
What is the InChIKey of 5,5-dimethyl-2-(oxan-4-ylamino)-N-[(3R)-piperidin-3-yl]-2,3,7,7a-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-6-carbohydrazide?
The InChIKey is GLENKAGMNIOSIU-ODIFPOPNSA-N. The full InChI is InChI=1S/C19H35N7O2/c1-19(2)15-11-22-17(23-13-5-8-28-9-6-13)24-16(15)12-25(19)18(27)26(20)14-4-3-7-21-10-14/h11,13-14,16-17,21-24H,3-10,12,20H2,1-2H3/t14-,16?,17?/m1/s1.
What are the key properties of 5,5-dimethyl-2-(oxan-4-ylamino)-N-[(3R)-piperidin-3-yl]-2,3,7,7a-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-6-carbohydrazide?
5,5-dimethyl-2-(oxan-4-ylamino)-N-[(3R)-piperidin-3-yl]-2,3,7,7a-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-6-carbohydrazide has a molecular weight of 393.54 g/mol, XLogP of -0.37, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-(oxan-4-ylamino)-N-[(3R)-piperidin-3-yl]-2,3,7,7a-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-6-carbohydrazide is sourced from PubChem (CID 122643208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).