2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-(5,6-dimethyl-2-pyridinyl)thieno[3,2-d]pyrimidine-7-carboxamide

C19H22N6O2S — CID 71625969

IUPAC2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-(5,6-dimethyl-2-pyridinyl)thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCc1ccc(NC(=O)c2csc3cnc(N[C@@H]4CCOC[C@@H]4N)nc23)nc1C
InChIInChI=1S/C19H22N6O2S/c1-10-3-4-16(22-11(10)2)24-18(26)12-9-28-15-7-21-19(25-17(12)15)23-14-5-6-27-8-13(14)20/h3-4,7,9,13-14H,5-6,8,20H2,1-2H3,(H,21,23,25)(H,22,24,26)/t13-,14+/m0/s1
InChIKeyUVCYHRNTBLARBQ-UONOGXRCSA-N
MW398.49 g/mol
LogP2.48
Rot. Bonds4

About 2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-(5,6-dimethyl-2-pyridinyl)thieno[3,2-d]pyrimidine-7-carboxamide

2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-(5,6-dimethyl-2-pyridinyl)thieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 71625969) has the molecular formula C19H22N6O2S and a molecular weight of 398.49 g/mol. Its IUPAC name is 2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-(5,6-dimethyl-2-pyridinyl)thieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-(5,6-dimethyl-2-pyridinyl)thieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID71625969
Molecular FormulaC19H22N6O2S
Molecular Weight398.49 g/mol
Exact Mass398.15
IUPAC Name2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-(5,6-dimethyl-2-pyridinyl)thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCc1ccc(NC(=O)c2csc3cnc(N[C@@H]4CCOC[C@@H]4N)nc23)nc1C
InChIInChI=1S/C19H22N6O2S/c1-10-3-4-16(22-11(10)2)24-18(26)12-9-28-15-7-21-19(25-17(12)15)23-14-5-6-27-8-13(14)20/h3-4,7,9,13-14H,5-6,8,20H2,1-2H3,(H,21,23,25)(H,22,24,26)/t13-,14+/m0/s1
InChIKeyUVCYHRNTBLARBQ-UONOGXRCSA-N
XLogP2.48
TPSA115.05 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-(5,6-dimethyl-2-pyridinyl)thieno[3,2-d]pyrimidine-7-carboxamide 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 2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-(5,6-dimethyl-2-pyridinyl)thieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of 2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-(5,6-dimethyl-2-pyridinyl)thieno[3,2-d]pyrimidine-7-carboxamide (CID 71625969) is 2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-(5,6-dimethyl-2-pyridinyl)thieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-(5,6-dimethyl-2-pyridinyl)thieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for 2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-(5,6-dimethyl-2-pyridinyl)thieno[3,2-d]pyrimidine-7-carboxamide is Cc1ccc(NC(=O)c2csc3cnc(N[C@@H]4CCOC[C@@H]4N)nc23)nc1C.
What is the InChIKey of 2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-(5,6-dimethyl-2-pyridinyl)thieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is UVCYHRNTBLARBQ-UONOGXRCSA-N. The full InChI is InChI=1S/C19H22N6O2S/c1-10-3-4-16(22-11(10)2)24-18(26)12-9-28-15-7-21-19(25-17(12)15)23-14-5-6-27-8-13(14)20/h3-4,7,9,13-14H,5-6,8,20H2,1-2H3,(H,21,23,25)(H,22,24,26)/t13-,14+/m0/s1.
What are the key properties of 2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-(5,6-dimethyl-2-pyridinyl)thieno[3,2-d]pyrimidine-7-carboxamide?
2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-(5,6-dimethyl-2-pyridinyl)thieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 398.49 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-(5,6-dimethyl-2-pyridinyl)thieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 71625969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).