2-chloro-6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine

C13H14ClN5S — CID 106106124

IUPAC2-chloro-6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NCCc3ccn(C)n3)nc(Cl)nc2s1
InChIInChI=1S/C13H14ClN5S/c1-8-7-10-11(16-13(14)17-12(10)20-8)15-5-3-9-4-6-19(2)18-9/h4,6-7H,3,5H2,1-2H3,(H,15,16,17)
InChIKeyMMSUHODTVJMNDD-UHFFFAOYSA-N
MW307.81 g/mol
LogP3.04
Rot. Bonds4

About 2-chloro-6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine

2-chloro-6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 106106124) has the molecular formula C13H14ClN5S and a molecular weight of 307.81 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID106106124
Molecular FormulaC13H14ClN5S
Molecular Weight307.81 g/mol
Exact Mass307.07
IUPAC Name2-chloro-6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NCCc3ccn(C)n3)nc(Cl)nc2s1
InChIInChI=1S/C13H14ClN5S/c1-8-7-10-11(16-13(14)17-12(10)20-8)15-5-3-9-4-6-19(2)18-9/h4,6-7H,3,5H2,1-2H3,(H,15,16,17)
InChIKeyMMSUHODTVJMNDD-UHFFFAOYSA-N
XLogP3.04
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.81
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine (CID 106106124) is 2-chloro-6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine is Cc1cc2c(NCCc3ccn(C)n3)nc(Cl)nc2s1.
What is the InChIKey of 2-chloro-6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is MMSUHODTVJMNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5S/c1-8-7-10-11(16-13(14)17-12(10)20-8)15-5-3-9-4-6-19(2)18-9/h4,6-7H,3,5H2,1-2H3,(H,15,16,17).
What are the key properties of 2-chloro-6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
2-chloro-6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 307.81 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106106124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).