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

C18H20N6O2S — CID 71626965

IUPAC2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-(5-methyl-2-pyridinyl)thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCc1ccc(NC(=O)c2csc3cnc(N[C@@H]4CCOC[C@@H]4N)nc23)nc1
InChIInChI=1S/C18H20N6O2S/c1-10-2-3-15(20-6-10)23-17(25)11-9-27-14-7-21-18(24-16(11)14)22-13-4-5-26-8-12(13)19/h2-3,6-7,9,12-13H,4-5,8,19H2,1H3,(H,20,23,25)(H,21,22,24)/t12-,13+/m0/s1
InChIKeySJXIMEZUSUFXNI-QWHCGFSZSA-N
MW384.47 g/mol
LogP2.18
Rot. Bonds4

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

2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-(5-methyl-2-pyridinyl)thieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 71626965) has the molecular formula C18H20N6O2S and a molecular weight of 384.47 g/mol. Its IUPAC name is 2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-(5-methyl-2-pyridinyl)thieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-(5-methyl-2-pyridinyl)thieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID71626965
Molecular FormulaC18H20N6O2S
Molecular Weight384.47 g/mol
Exact Mass384.14
IUPAC Name2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-(5-methyl-2-pyridinyl)thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCc1ccc(NC(=O)c2csc3cnc(N[C@@H]4CCOC[C@@H]4N)nc23)nc1
InChIInChI=1S/C18H20N6O2S/c1-10-2-3-15(20-6-10)23-17(25)11-9-27-14-7-21-18(24-16(11)14)22-13-4-5-26-8-12(13)19/h2-3,6-7,9,12-13H,4-5,8,19H2,1H3,(H,20,23,25)(H,21,22,24)/t12-,13+/m0/s1
InChIKeySJXIMEZUSUFXNI-QWHCGFSZSA-N
XLogP2.18
TPSA115.05 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-(5-methyl-2-pyridinyl)thieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of 2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-(5-methyl-2-pyridinyl)thieno[3,2-d]pyrimidine-7-carboxamide (CID 71626965) is 2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-(5-methyl-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-methyl-2-pyridinyl)thieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for 2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-(5-methyl-2-pyridinyl)thieno[3,2-d]pyrimidine-7-carboxamide is Cc1ccc(NC(=O)c2csc3cnc(N[C@@H]4CCOC[C@@H]4N)nc23)nc1.
What is the InChIKey of 2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-(5-methyl-2-pyridinyl)thieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is SJXIMEZUSUFXNI-QWHCGFSZSA-N. The full InChI is InChI=1S/C18H20N6O2S/c1-10-2-3-15(20-6-10)23-17(25)11-9-27-14-7-21-18(24-16(11)14)22-13-4-5-26-8-12(13)19/h2-3,6-7,9,12-13H,4-5,8,19H2,1H3,(H,20,23,25)(H,21,22,24)/t12-,13+/m0/s1.
What are the key properties of 2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-(5-methyl-2-pyridinyl)thieno[3,2-d]pyrimidine-7-carboxamide?
2-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-(5-methyl-2-pyridinyl)thieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 384.47 g/mol, XLogP of 2.18, 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-methyl-2-pyridinyl)thieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 71626965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).