4-[2-methyl-4-(1,3-thiazol-4-ylmethoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine

C16H14N6OS — CID 166634528

IUPAC4-[2-methyl-4-(1,3-thiazol-4-ylmethoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine
SMILESCc1nc(OCc2cscn2)c2c(-c3ccnc(N)c3)c[nH]c2n1
InChIInChI=1S/C16H14N6OS/c1-9-21-15-14(16(22-9)23-6-11-7-24-8-20-11)12(5-19-15)10-2-3-18-13(17)4-10/h2-5,7-8H,6H2,1H3,(H2,17,18)(H,19,21,22)
InChIKeyFOIOWDZKEWEOQP-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.95
Rot. Bonds4

About 4-[2-methyl-4-(1,3-thiazol-4-ylmethoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine

4-[2-methyl-4-(1,3-thiazol-4-ylmethoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine (PubChem CID 166634528) has the molecular formula C16H14N6OS and a molecular weight of 338.40 g/mol. Its IUPAC name is 4-[2-methyl-4-(1,3-thiazol-4-ylmethoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[2-methyl-4-(1,3-thiazol-4-ylmethoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine
PubChem CID166634528
Molecular FormulaC16H14N6OS
Molecular Weight338.40 g/mol
Exact Mass338.09
IUPAC Name4-[2-methyl-4-(1,3-thiazol-4-ylmethoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine
SMILESCc1nc(OCc2cscn2)c2c(-c3ccnc(N)c3)c[nH]c2n1
InChIInChI=1S/C16H14N6OS/c1-9-21-15-14(16(22-9)23-6-11-7-24-8-20-11)12(5-19-15)10-2-3-18-13(17)4-10/h2-5,7-8H,6H2,1H3,(H2,17,18)(H,19,21,22)
InChIKeyFOIOWDZKEWEOQP-UHFFFAOYSA-N
XLogP2.95
TPSA102.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-4-(1,3-thiazol-4-ylmethoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine?
The IUPAC name of 4-[2-methyl-4-(1,3-thiazol-4-ylmethoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine (CID 166634528) is 4-[2-methyl-4-(1,3-thiazol-4-ylmethoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine.
What is the SMILES notation for 4-[2-methyl-4-(1,3-thiazol-4-ylmethoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine?
The canonical SMILES for 4-[2-methyl-4-(1,3-thiazol-4-ylmethoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine is Cc1nc(OCc2cscn2)c2c(-c3ccnc(N)c3)c[nH]c2n1.
What is the InChIKey of 4-[2-methyl-4-(1,3-thiazol-4-ylmethoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine?
The InChIKey is FOIOWDZKEWEOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6OS/c1-9-21-15-14(16(22-9)23-6-11-7-24-8-20-11)12(5-19-15)10-2-3-18-13(17)4-10/h2-5,7-8H,6H2,1H3,(H2,17,18)(H,19,21,22).
What are the key properties of 4-[2-methyl-4-(1,3-thiazol-4-ylmethoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine?
4-[2-methyl-4-(1,3-thiazol-4-ylmethoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine has a molecular weight of 338.40 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-4-(1,3-thiazol-4-ylmethoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine is sourced from PubChem (CID 166634528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).