5-(5-propan-2-ylthieno[2,3-b]pyridin-4-yl)oxypyrimidine-2,4-diamine

C14H15N5OS — CID 166005304

IUPAC5-(5-propan-2-ylthieno[2,3-b]pyridin-4-yl)oxypyrimidine-2,4-diamine
SMILESCC(C)c1cnc2sccc2c1Oc1cnc(N)nc1N
InChIInChI=1S/C14H15N5OS/c1-7(2)9-5-17-13-8(3-4-21-13)11(9)20-10-6-18-14(16)19-12(10)15/h3-7H,1-2H3,(H4,15,16,18,19)
InChIKeyCWQULMRCMLJOTQ-UHFFFAOYSA-N
MW301.38 g/mol
LogP3.17
Rot. Bonds3

About 5-(5-propan-2-ylthieno[2,3-b]pyridin-4-yl)oxypyrimidine-2,4-diamine

5-(5-propan-2-ylthieno[2,3-b]pyridin-4-yl)oxypyrimidine-2,4-diamine (PubChem CID 166005304) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is 5-(5-propan-2-ylthieno[2,3-b]pyridin-4-yl)oxypyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(5-propan-2-ylthieno[2,3-b]pyridin-4-yl)oxypyrimidine-2,4-diamine
PubChem CID166005304
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC Name5-(5-propan-2-ylthieno[2,3-b]pyridin-4-yl)oxypyrimidine-2,4-diamine
SMILESCC(C)c1cnc2sccc2c1Oc1cnc(N)nc1N
InChIInChI=1S/C14H15N5OS/c1-7(2)9-5-17-13-8(3-4-21-13)11(9)20-10-6-18-14(16)19-12(10)15/h3-7H,1-2H3,(H4,15,16,18,19)
InChIKeyCWQULMRCMLJOTQ-UHFFFAOYSA-N
XLogP3.17
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridin-4-yl)oxypyrimidine-2,4-diamine
CID 166005296
5-[(5-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]pyrimidine-2,4-diamine
CID 155378627
5-(5-methyl-3-propan-2-ylnaphthalen-2-yl)oxypyrimidine-2,4-diamine
CID 58826988
2-methyl-5-[(3-propan-2-yl-1,7-naphthyridin-4-yl)oxy]pyrimidin-4-amine
CID 167626151
4-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-5-propan-2-ylphenol
CID 71206317
5-[(5-propan-2-yl-2-prop-1-ynyl-4-pyridinyl)oxy]pyrimidine-2,4-diamine
CID 147504835
5-[(3-methyl-5-propan-2-yl-1H-indol-6-yl)oxy]pyrimidine-2,4-diamine
CID 141170810
amino-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]methanol
CID 163788911
N-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-4-propan-2-ylphenyl]thiohydroxylamine
CID 158412823
5-(4-methoxy-5-nitroso-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
CID 88966587
5-(2,4-diaminopyrimidin-5-yl)oxy-2-iodo-4-propan-2-ylbenzenesulfonamide
CID 129106128
5-[4-(2-aminoethoxy)-5-iodo-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine
CID 126513190

Frequently Asked Questions

What is the IUPAC name of 5-(5-propan-2-ylthieno[2,3-b]pyridin-4-yl)oxypyrimidine-2,4-diamine?
The IUPAC name of 5-(5-propan-2-ylthieno[2,3-b]pyridin-4-yl)oxypyrimidine-2,4-diamine (CID 166005304) is 5-(5-propan-2-ylthieno[2,3-b]pyridin-4-yl)oxypyrimidine-2,4-diamine.
What is the SMILES notation for 5-(5-propan-2-ylthieno[2,3-b]pyridin-4-yl)oxypyrimidine-2,4-diamine?
The canonical SMILES for 5-(5-propan-2-ylthieno[2,3-b]pyridin-4-yl)oxypyrimidine-2,4-diamine is CC(C)c1cnc2sccc2c1Oc1cnc(N)nc1N.
What is the InChIKey of 5-(5-propan-2-ylthieno[2,3-b]pyridin-4-yl)oxypyrimidine-2,4-diamine?
The InChIKey is CWQULMRCMLJOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-7(2)9-5-17-13-8(3-4-21-13)11(9)20-10-6-18-14(16)19-12(10)15/h3-7H,1-2H3,(H4,15,16,18,19).
What are the key properties of 5-(5-propan-2-ylthieno[2,3-b]pyridin-4-yl)oxypyrimidine-2,4-diamine?
5-(5-propan-2-ylthieno[2,3-b]pyridin-4-yl)oxypyrimidine-2,4-diamine has a molecular weight of 301.38 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-propan-2-ylthieno[2,3-b]pyridin-4-yl)oxypyrimidine-2,4-diamine is sourced from PubChem (CID 166005304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).