N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine

C11H12N6S — CID 63330100

IUPACN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCn1cnnc1CCNc1ncnc2ccsc12
InChIInChI=1S/C11H12N6S/c1-17-7-15-16-9(17)2-4-12-11-10-8(3-5-18-10)13-6-14-11/h3,5-7H,2,4H2,1H3,(H,12,13,14)
InChIKeySZRJFAIFKLOCFQ-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.47
Rot. Bonds4

About N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine

N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 63330100) has the molecular formula C11H12N6S and a molecular weight of 260.33 g/mol. Its IUPAC name is N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID63330100
Molecular FormulaC11H12N6S
Molecular Weight260.33 g/mol
Exact Mass260.08
IUPAC NameN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCn1cnnc1CCNc1ncnc2ccsc12
InChIInChI=1S/C11H12N6S/c1-17-7-15-16-9(17)2-4-12-11-10-8(3-5-18-10)13-6-14-11/h3,5-7H,2,4H2,1H3,(H,12,13,14)
InChIKeySZRJFAIFKLOCFQ-UHFFFAOYSA-N
XLogP1.47
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanethiol
CID 58265115
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-amine
CID 113345406
N',N'-diethyl-N-thieno[3,2-d]pyrimidin-4-ylethane-1,2-diamine
CID 43236110
N-(2-pyridin-4-ylethyl)thieno[3,2-d]pyrimidin-4-amine
CID 54943655
N-[2-(1-methylpiperidin-4-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 115599545
N'-propan-2-yl-N-thieno[3,2-d]pyrimidin-4-ylethane-1,2-diamine
CID 62663575
N-methyl-2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanesulfonamide
CID 102675352
4-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]thieno[3,2-d]pyrimidine
CID 70706090
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 103744781
4-chloro-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyrimidine-5-carbaldehyde
CID 66366338
N-(5-methylhexyl)thieno[3,2-d]pyrimidin-4-amine
CID 79003294
3-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
CID 63330325

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine (CID 63330100) is N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine is Cn1cnnc1CCNc1ncnc2ccsc12.
What is the InChIKey of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is SZRJFAIFKLOCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6S/c1-17-7-15-16-9(17)2-4-12-11-10-8(3-5-18-10)13-6-14-11/h3,5-7H,2,4H2,1H3,(H,12,13,14).
What are the key properties of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine?
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 260.33 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 63330100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).