5-(2-amino-4-pyridinyl)-2-methyl-N-(1,3-thiazol-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C16H15N7S — CID 166627251

IUPAC5-(2-amino-4-pyridinyl)-2-methyl-N-(1,3-thiazol-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCc2cscn2)c2c(-c3ccnc(N)c3)c[nH]c2n1
InChIInChI=1S/C16H15N7S/c1-9-22-15(19-5-11-7-24-8-21-11)14-12(6-20-16(14)23-9)10-2-3-18-13(17)4-10/h2-4,6-8H,5H2,1H3,(H2,17,18)(H2,19,20,22,23)
InChIKeyYKJOIFHPPKVMJX-UHFFFAOYSA-N
MW337.41 g/mol
LogP2.98
Rot. Bonds4

About 5-(2-amino-4-pyridinyl)-2-methyl-N-(1,3-thiazol-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

5-(2-amino-4-pyridinyl)-2-methyl-N-(1,3-thiazol-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 166627251) has the molecular formula C16H15N7S and a molecular weight of 337.41 g/mol. Its IUPAC name is 5-(2-amino-4-pyridinyl)-2-methyl-N-(1,3-thiazol-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(2-amino-4-pyridinyl)-2-methyl-N-(1,3-thiazol-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID166627251
Molecular FormulaC16H15N7S
Molecular Weight337.41 g/mol
Exact Mass337.11
IUPAC Name5-(2-amino-4-pyridinyl)-2-methyl-N-(1,3-thiazol-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCc2cscn2)c2c(-c3ccnc(N)c3)c[nH]c2n1
InChIInChI=1S/C16H15N7S/c1-9-22-15(19-5-11-7-24-8-21-11)14-12(6-20-16(14)23-9)10-2-3-18-13(17)4-10/h2-4,6-8H,5H2,1H3,(H2,17,18)(H2,19,20,22,23)
InChIKeyYKJOIFHPPKVMJX-UHFFFAOYSA-N
XLogP2.98
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-4-pyridinyl)-2-methyl-N-(1,3-thiazol-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(2-amino-4-pyridinyl)-2-methyl-N-(1,3-thiazol-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 166627251) is 5-(2-amino-4-pyridinyl)-2-methyl-N-(1,3-thiazol-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(2-amino-4-pyridinyl)-2-methyl-N-(1,3-thiazol-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(2-amino-4-pyridinyl)-2-methyl-N-(1,3-thiazol-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1nc(NCc2cscn2)c2c(-c3ccnc(N)c3)c[nH]c2n1.
What is the InChIKey of 5-(2-amino-4-pyridinyl)-2-methyl-N-(1,3-thiazol-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is YKJOIFHPPKVMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7S/c1-9-22-15(19-5-11-7-24-8-21-11)14-12(6-20-16(14)23-9)10-2-3-18-13(17)4-10/h2-4,6-8H,5H2,1H3,(H2,17,18)(H2,19,20,22,23).
What are the key properties of 5-(2-amino-4-pyridinyl)-2-methyl-N-(1,3-thiazol-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
5-(2-amino-4-pyridinyl)-2-methyl-N-(1,3-thiazol-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 337.41 g/mol, XLogP of 2.98, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-4-pyridinyl)-2-methyl-N-(1,3-thiazol-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 166627251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).