2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-(1-methylpyrazol-3-yl)thieno[3,2-d]pyrimidine-7-carboxamide

C16H19N7O2S — CID 71626966

IUPAC2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-(1-methylpyrazol-3-yl)thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCn1ccc(NC(=O)c2csc3cnc(N[C@@H]4CCOC[C@@H]4N)nc23)n1
InChIInChI=1S/C16H19N7O2S/c1-23-4-2-13(22-23)20-15(24)9-8-26-12-6-18-16(21-14(9)12)19-11-3-5-25-7-10(11)17/h2,4,6,8,10-11H,3,5,7,17H2,1H3,(H,18,19,21)(H,20,22,24)/t10-,11+/m0/s1
InChIKeyGBWBYOIYZOJZPL-WDEREUQCSA-N
MW373.44 g/mol
LogP1.21
Rot. Bonds4

About 2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-(1-methylpyrazol-3-yl)thieno[3,2-d]pyrimidine-7-carboxamide

2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-(1-methylpyrazol-3-yl)thieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 71626966) has the molecular formula C16H19N7O2S and a molecular weight of 373.44 g/mol. Its IUPAC name is 2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-(1-methylpyrazol-3-yl)thieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-(1-methylpyrazol-3-yl)thieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID71626966
Molecular FormulaC16H19N7O2S
Molecular Weight373.44 g/mol
Exact Mass373.13
IUPAC Name2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-(1-methylpyrazol-3-yl)thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCn1ccc(NC(=O)c2csc3cnc(N[C@@H]4CCOC[C@@H]4N)nc23)n1
InChIInChI=1S/C16H19N7O2S/c1-23-4-2-13(22-23)20-15(24)9-8-26-12-6-18-16(21-14(9)12)19-11-3-5-25-7-10(11)17/h2,4,6,8,10-11H,3,5,7,17H2,1H3,(H,18,19,21)(H,20,22,24)/t10-,11+/m0/s1
InChIKeyGBWBYOIYZOJZPL-WDEREUQCSA-N
XLogP1.21
TPSA119.98 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-(1-methylpyrazol-3-yl)thieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of 2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-(1-methylpyrazol-3-yl)thieno[3,2-d]pyrimidine-7-carboxamide (CID 71626966) is 2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-(1-methylpyrazol-3-yl)thieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-(1-methylpyrazol-3-yl)thieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for 2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-(1-methylpyrazol-3-yl)thieno[3,2-d]pyrimidine-7-carboxamide is Cn1ccc(NC(=O)c2csc3cnc(N[C@@H]4CCOC[C@@H]4N)nc23)n1.
What is the InChIKey of 2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-(1-methylpyrazol-3-yl)thieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is GBWBYOIYZOJZPL-WDEREUQCSA-N. The full InChI is InChI=1S/C16H19N7O2S/c1-23-4-2-13(22-23)20-15(24)9-8-26-12-6-18-16(21-14(9)12)19-11-3-5-25-7-10(11)17/h2,4,6,8,10-11H,3,5,7,17H2,1H3,(H,18,19,21)(H,20,22,24)/t10-,11+/m0/s1.
What are the key properties of 2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-(1-methylpyrazol-3-yl)thieno[3,2-d]pyrimidine-7-carboxamide?
2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-(1-methylpyrazol-3-yl)thieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 373.44 g/mol, XLogP of 1.21, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-(1-methylpyrazol-3-yl)thieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 71626966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).