6-butylsulfanyl-4-(3-methylimidazol-4-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine

C19H20N6S2 — CID 142485827

IUPAC6-butylsulfanyl-4-(3-methylimidazol-4-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine
SMILESCCCCSc1sc2nc(-c3cccnc3)nc(-c3cncn3C)c2c1N
InChIInChI=1S/C19H20N6S2/c1-3-4-8-26-19-15(20)14-16(13-10-22-11-25(13)2)23-17(24-18(14)27-19)12-6-5-7-21-9-12/h5-7,9-11H,3-4,8,20H2,1-2H3
InChIKeyGMOPJYHJDQAKRH-UHFFFAOYSA-N
MW396.55 g/mol
LogP4.63
Rot. Bonds6

About 6-butylsulfanyl-4-(3-methylimidazol-4-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine

6-butylsulfanyl-4-(3-methylimidazol-4-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine (PubChem CID 142485827) has the molecular formula C19H20N6S2 and a molecular weight of 396.55 g/mol. Its IUPAC name is 6-butylsulfanyl-4-(3-methylimidazol-4-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine.

Molecular Properties

Compound Name6-butylsulfanyl-4-(3-methylimidazol-4-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine
PubChem CID142485827
Molecular FormulaC19H20N6S2
Molecular Weight396.55 g/mol
Exact Mass396.12
IUPAC Name6-butylsulfanyl-4-(3-methylimidazol-4-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine
SMILESCCCCSc1sc2nc(-c3cccnc3)nc(-c3cncn3C)c2c1N
InChIInChI=1S/C19H20N6S2/c1-3-4-8-26-19-15(20)14-16(13-10-22-11-25(13)2)23-17(24-18(14)27-19)12-6-5-7-21-9-12/h5-7,9-11H,3-4,8,20H2,1-2H3
InChIKeyGMOPJYHJDQAKRH-UHFFFAOYSA-N
XLogP4.63
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.55
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-butylsulfanyl-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine
CID 142485771
6-[(S)-butylsulfinyl]-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine
CID 142485744
6-butylsulfinyl-2-pyridin-3-yl-4-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine
CID 135388076
4-chloro-6-(3-methylimidazol-4-yl)-2-pyridin-3-ylpyrimidine-5-carbonitrile
CID 135388053
3-amino-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-thiol
CID 142485765
2-[5-[4-[5-amino-6-[(S)-butylsulfinyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl]phenyl]-3-pyridinyl]-6-[(R)-2-methoxyethylsulfinyl]-4-phenylthieno[2,3-d]pyrimidin-5-amine
CID 142485919
3-(3-butylimidazol-4-yl)pyridine
CID 174388983
2-butylsulfanyl-4-(1-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 170737991
6-butylsulfinyl-2,4-diphenylthieno[2,3-d]pyrimidin-5-amine
CID 90051604
3-[3-amino-2-butylsulfanyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N-prop-2-enylbenzamide
CID 142485815
4-(butylsulfanylmethylsulfanyl)-6-(1-methylimidazol-4-yl)-2-pyridin-3-ylpyrimidine-5-carbonitrile
CID 135387944
1-pentan-3-yl-3-pyridin-3-ylpyrazol-4-amine
CID 83218420

Frequently Asked Questions

What is the IUPAC name of 6-butylsulfanyl-4-(3-methylimidazol-4-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine?
The IUPAC name of 6-butylsulfanyl-4-(3-methylimidazol-4-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine (CID 142485827) is 6-butylsulfanyl-4-(3-methylimidazol-4-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine.
What is the SMILES notation for 6-butylsulfanyl-4-(3-methylimidazol-4-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine?
The canonical SMILES for 6-butylsulfanyl-4-(3-methylimidazol-4-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine is CCCCSc1sc2nc(-c3cccnc3)nc(-c3cncn3C)c2c1N.
What is the InChIKey of 6-butylsulfanyl-4-(3-methylimidazol-4-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine?
The InChIKey is GMOPJYHJDQAKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6S2/c1-3-4-8-26-19-15(20)14-16(13-10-22-11-25(13)2)23-17(24-18(14)27-19)12-6-5-7-21-9-12/h5-7,9-11H,3-4,8,20H2,1-2H3.
What are the key properties of 6-butylsulfanyl-4-(3-methylimidazol-4-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine?
6-butylsulfanyl-4-(3-methylimidazol-4-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine has a molecular weight of 396.55 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butylsulfanyl-4-(3-methylimidazol-4-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine is sourced from PubChem (CID 142485827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).