N-[(3S,4R)-3-methoxyoxan-4-yl]thieno[3,2-d]pyrimidin-4-amine

C12H15N3O2S — CID 91793439

IUPACN-[(3S,4R)-3-methoxyoxan-4-yl]thieno[3,2-d]pyrimidin-4-amine
SMILESCO[C@@H]1COCC[C@H]1Nc1ncnc2ccsc12
InChIInChI=1S/C12H15N3O2S/c1-16-10-6-17-4-2-8(10)15-12-11-9(3-5-18-11)13-7-14-12/h3,5,7-8,10H,2,4,6H2,1H3,(H,13,14,15)/t8-,10-/m1/s1
InChIKeyUMJDWEHJJOODCB-PSASIEDQSA-N
MW265.34 g/mol
LogP1.91
Rot. Bonds3

About N-[(3S,4R)-3-methoxyoxan-4-yl]thieno[3,2-d]pyrimidin-4-amine

N-[(3S,4R)-3-methoxyoxan-4-yl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 91793439) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-[(3S,4R)-3-methoxyoxan-4-yl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3S,4R)-3-methoxyoxan-4-yl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID91793439
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-[(3S,4R)-3-methoxyoxan-4-yl]thieno[3,2-d]pyrimidin-4-amine
SMILESCO[C@@H]1COCC[C@H]1Nc1ncnc2ccsc12
InChIInChI=1S/C12H15N3O2S/c1-16-10-6-17-4-2-8(10)15-12-11-9(3-5-18-11)13-7-14-12/h3,5,7-8,10H,2,4,6H2,1H3,(H,13,14,15)/t8-,10-/m1/s1
InChIKeyUMJDWEHJJOODCB-PSASIEDQSA-N
XLogP1.91
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-thieno[3,2-d]pyrimidin-4-ylcyclohexane-1,2-diamine
CID 61037130
N-(1,4-dioxan-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
CID 47283434
(1S,3R,4R)-4-methoxy-N-(2-methoxyethyl)-N-methyl-3-(thieno[3,2-d]pyrimidin-4-ylamino)cyclohexane-1-carboxamide
CID 163314604
N-[(3R,4S)-3-methoxyoxan-4-yl]-1,3-benzothiazol-2-amine
CID 131926651
N-(3,3-dimethylcyclopentyl)thieno[3,2-d]pyrimidin-4-amine
CID 115880973
N-(2,2-diethyloxan-4-yl)thieno[3,2-d]pyrimidin-4-amine
CID 82760786
N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]quinazolin-4-amine
CID 91771429
N-(3,3,5,5-tetramethylcyclohexyl)thieno[3,2-d]pyrimidin-4-amine
CID 103967085
N-(3-methylsulfanylcyclopentyl)thieno[3,2-d]pyrimidin-4-amine
CID 113244147
4-methyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]phthalazin-1-amine
CID 91774901
2-cyclopropyl-2-(thieno[3,2-d]pyrimidin-4-ylamino)propanoic acid
CID 64667669
3-chloro-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]pyridin-2-amine
CID 91773034

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-methoxyoxan-4-yl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[(3S,4R)-3-methoxyoxan-4-yl]thieno[3,2-d]pyrimidin-4-amine (CID 91793439) is N-[(3S,4R)-3-methoxyoxan-4-yl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(3S,4R)-3-methoxyoxan-4-yl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[(3S,4R)-3-methoxyoxan-4-yl]thieno[3,2-d]pyrimidin-4-amine is CO[C@@H]1COCC[C@H]1Nc1ncnc2ccsc12.
What is the InChIKey of N-[(3S,4R)-3-methoxyoxan-4-yl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is UMJDWEHJJOODCB-PSASIEDQSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-16-10-6-17-4-2-8(10)15-12-11-9(3-5-18-11)13-7-14-12/h3,5,7-8,10H,2,4,6H2,1H3,(H,13,14,15)/t8-,10-/m1/s1.
What are the key properties of N-[(3S,4R)-3-methoxyoxan-4-yl]thieno[3,2-d]pyrimidin-4-amine?
N-[(3S,4R)-3-methoxyoxan-4-yl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 265.34 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-methoxyoxan-4-yl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 91793439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).