2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-pyrazolo[1,5-a]pyrimidin-3-ylthieno[3,2-d]pyrimidine-7-carboxamide

C18H18N8O2S — CID 71625966

IUPAC2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-pyrazolo[1,5-a]pyrimidin-3-ylthieno[3,2-d]pyrimidine-7-carboxamide
SMILESN[C@H]1COCC[C@H]1Nc1ncc2scc(C(=O)Nc3cnn4cccnc34)c2n1
InChIInChI=1S/C18H18N8O2S/c19-11-8-28-5-2-12(11)24-18-21-7-14-15(25-18)10(9-29-14)17(27)23-13-6-22-26-4-1-3-20-16(13)26/h1,3-4,6-7,9,11-12H,2,5,8,19H2,(H,23,27)(H,21,24,25)/t11-,12+/m0/s1
InChIKeyQZLJMJSLFNYQOY-NWDGAFQWSA-N
MW410.46 g/mol
LogP1.51
Rot. Bonds4

About 2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-pyrazolo[1,5-a]pyrimidin-3-ylthieno[3,2-d]pyrimidine-7-carboxamide

2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-pyrazolo[1,5-a]pyrimidin-3-ylthieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 71625966) has the molecular formula C18H18N8O2S and a molecular weight of 410.46 g/mol. Its IUPAC name is 2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-pyrazolo[1,5-a]pyrimidin-3-ylthieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-pyrazolo[1,5-a]pyrimidin-3-ylthieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID71625966
Molecular FormulaC18H18N8O2S
Molecular Weight410.46 g/mol
Exact Mass410.13
IUPAC Name2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-pyrazolo[1,5-a]pyrimidin-3-ylthieno[3,2-d]pyrimidine-7-carboxamide
SMILESN[C@H]1COCC[C@H]1Nc1ncc2scc(C(=O)Nc3cnn4cccnc34)c2n1
InChIInChI=1S/C18H18N8O2S/c19-11-8-28-5-2-12(11)24-18-21-7-14-15(25-18)10(9-29-14)17(27)23-13-6-22-26-4-1-3-20-16(13)26/h1,3-4,6-7,9,11-12H,2,5,8,19H2,(H,23,27)(H,21,24,25)/t11-,12+/m0/s1
InChIKeyQZLJMJSLFNYQOY-NWDGAFQWSA-N
XLogP1.51
TPSA132.35 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-pyrazolo[1,5-a]pyrimidin-3-ylthieno[3,2-d]pyrimidine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-pyrazolo[1,5-a]pyrimidin-3-ylthieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of 2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-pyrazolo[1,5-a]pyrimidin-3-ylthieno[3,2-d]pyrimidine-7-carboxamide (CID 71625966) is 2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-pyrazolo[1,5-a]pyrimidin-3-ylthieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-pyrazolo[1,5-a]pyrimidin-3-ylthieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for 2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-pyrazolo[1,5-a]pyrimidin-3-ylthieno[3,2-d]pyrimidine-7-carboxamide is N[C@H]1COCC[C@H]1Nc1ncc2scc(C(=O)Nc3cnn4cccnc34)c2n1.
What is the InChIKey of 2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-pyrazolo[1,5-a]pyrimidin-3-ylthieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is QZLJMJSLFNYQOY-NWDGAFQWSA-N. The full InChI is InChI=1S/C18H18N8O2S/c19-11-8-28-5-2-12(11)24-18-21-7-14-15(25-18)10(9-29-14)17(27)23-13-6-22-26-4-1-3-20-16(13)26/h1,3-4,6-7,9,11-12H,2,5,8,19H2,(H,23,27)(H,21,24,25)/t11-,12+/m0/s1.
What are the key properties of 2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-pyrazolo[1,5-a]pyrimidin-3-ylthieno[3,2-d]pyrimidine-7-carboxamide?
2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-pyrazolo[1,5-a]pyrimidin-3-ylthieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 410.46 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-pyrazolo[1,5-a]pyrimidin-3-ylthieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 71625966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).