N-(furan-2-ylmethylideneamino)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C13H12N4OS — CID 3124056

IUPACN-(furan-2-ylmethylideneamino)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(NN=Cc3ccco3)c2c1C
InChIInChI=1S/C13H12N4OS/c1-8-9(2)19-13-11(8)12(14-7-15-13)17-16-6-10-4-3-5-18-10/h3-7H,1-2H3,(H,14,15,17)
InChIKeyXWQHTGCVZMJHMK-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.35
Rot. Bonds3

About N-(furan-2-ylmethylideneamino)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

N-(furan-2-ylmethylideneamino)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 3124056) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is N-(furan-2-ylmethylideneamino)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethylideneamino)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID3124056
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC NameN-(furan-2-ylmethylideneamino)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(NN=Cc3ccco3)c2c1C
InChIInChI=1S/C13H12N4OS/c1-8-9(2)19-13-11(8)12(14-7-15-13)17-16-6-10-4-3-5-18-10/h3-7H,1-2H3,(H,14,15,17)
InChIKeyXWQHTGCVZMJHMK-UHFFFAOYSA-N
XLogP3.35
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_F(1)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(Z)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]benzonitrile
CID 6218625
N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 6218691
N-[4-[(Z)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenyl]acetamide
CID 6272660
N-[(4-ethoxyphenyl)methylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 4848657
4-[5-[(Z)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]furan-2-yl]benzenesulfonamide
CID 6218436
2-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-6-methoxyphenol
CID 3785592
1-[(E)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol
CID 135532991
methyl 4-[(Z)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]benzoate
CID 6292670
2-[2-[(Z)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenoxy]acetate
CID 7612956
4-[(Z)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-2-nitrophenolate
CID 7452229
3-[(Z)-furan-2-ylmethylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 5450773
5,6-dimethyl-N-phenylthieno[2,3-d]pyrimidin-4-amine
CID 835079

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethylideneamino)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(furan-2-ylmethylideneamino)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 3124056) is N-(furan-2-ylmethylideneamino)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(furan-2-ylmethylideneamino)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(furan-2-ylmethylideneamino)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is Cc1sc2ncnc(NN=Cc3ccco3)c2c1C.
What is the InChIKey of N-(furan-2-ylmethylideneamino)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is XWQHTGCVZMJHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-8-9(2)19-13-11(8)12(14-7-15-13)17-16-6-10-4-3-5-18-10/h3-7H,1-2H3,(H,14,15,17).
What are the key properties of N-(furan-2-ylmethylideneamino)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
N-(furan-2-ylmethylideneamino)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 272.33 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethylideneamino)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 3124056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).