2-ethyl-5-[(4-methylthieno[3,2-c]pyridin-5-ium-5-yl)methyl]pyrimidin-4-amine

C15H17N4S+ — CID 21416672

IUPAC2-ethyl-5-[(4-methylthieno[3,2-c]pyridin-5-ium-5-yl)methyl]pyrimidin-4-amine
SMILESCCc1ncc(C[n+]2ccc3sccc3c2C)c(N)n1
InChIInChI=1S/C15H17N4S/c1-3-14-17-8-11(15(16)18-14)9-19-6-4-13-12(10(19)2)5-7-20-13/h4-8H,3,9H2,1-2H3,(H2,16,17,18)/q+1
InChIKeyDUALOQSRFGKLME-UHFFFAOYSA-N
MW285.40 g/mol
LogP2.48
Rot. Bonds3

About 2-ethyl-5-[(4-methylthieno[3,2-c]pyridin-5-ium-5-yl)methyl]pyrimidin-4-amine

2-ethyl-5-[(4-methylthieno[3,2-c]pyridin-5-ium-5-yl)methyl]pyrimidin-4-amine (PubChem CID 21416672) has the molecular formula C15H17N4S+ and a molecular weight of 285.40 g/mol. Its IUPAC name is 2-ethyl-5-[(4-methylthieno[3,2-c]pyridin-5-ium-5-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-5-[(4-methylthieno[3,2-c]pyridin-5-ium-5-yl)methyl]pyrimidin-4-amine
PubChem CID21416672
Molecular FormulaC15H17N4S+
Molecular Weight285.40 g/mol
Exact Mass285.12
IUPAC Name2-ethyl-5-[(4-methylthieno[3,2-c]pyridin-5-ium-5-yl)methyl]pyrimidin-4-amine
SMILESCCc1ncc(C[n+]2ccc3sccc3c2C)c(N)n1
InChIInChI=1S/C15H17N4S/c1-3-14-17-8-11(15(16)18-14)9-19-6-4-13-12(10(19)2)5-7-20-13/h4-8H,3,9H2,1-2H3,(H2,16,17,18)/q+1
InChIKeyDUALOQSRFGKLME-UHFFFAOYSA-N
XLogP2.48
TPSA55.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-5-[[5-(2-fluoroethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]pyrimidin-4-amine chloride
CID 71609331
5-(aminomethyl)-2-ethylpyrimidin-4-amine;hydrochloride
CID 133062849
5-(chloromethyl)-2-ethylpyrimidin-4-amine
CID 118060527
ethane;5-[(5-ethyl-4-methyl-1,3-thiazol-3-ium-3-yl)methyl]-2-methylpyrimidin-4-amine
CID 176696031
2,3-dihydroxybutanedioic acid;5-[(2-methylpyridin-1-ium-1-yl)methyl]-2-propylpyrimidin-4-amine
CID 25027983
2-ethyl-5-(2-methylphenyl)pyrimidin-4-amine
CID 62900182
bis(2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol);tetrachloride
CID 19008582
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;hydron;hydrochloride
CID 174921911
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride
CID 6202
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-(113C)methyl-(4,5-13C2)1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride
CID 71752511
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;bromide;chloride
CID 21115019
bis(2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol);formaldehyde
CID 175057474

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[(4-methylthieno[3,2-c]pyridin-5-ium-5-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-ethyl-5-[(4-methylthieno[3,2-c]pyridin-5-ium-5-yl)methyl]pyrimidin-4-amine (CID 21416672) is 2-ethyl-5-[(4-methylthieno[3,2-c]pyridin-5-ium-5-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-5-[(4-methylthieno[3,2-c]pyridin-5-ium-5-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-5-[(4-methylthieno[3,2-c]pyridin-5-ium-5-yl)methyl]pyrimidin-4-amine is CCc1ncc(C[n+]2ccc3sccc3c2C)c(N)n1.
What is the InChIKey of 2-ethyl-5-[(4-methylthieno[3,2-c]pyridin-5-ium-5-yl)methyl]pyrimidin-4-amine?
The InChIKey is DUALOQSRFGKLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N4S/c1-3-14-17-8-11(15(16)18-14)9-19-6-4-13-12(10(19)2)5-7-20-13/h4-8H,3,9H2,1-2H3,(H2,16,17,18)/q+1.
What are the key properties of 2-ethyl-5-[(4-methylthieno[3,2-c]pyridin-5-ium-5-yl)methyl]pyrimidin-4-amine?
2-ethyl-5-[(4-methylthieno[3,2-c]pyridin-5-ium-5-yl)methyl]pyrimidin-4-amine has a molecular weight of 285.40 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[(4-methylthieno[3,2-c]pyridin-5-ium-5-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 21416672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).