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

C17H16N6S — CID 166629640

IUPAC5-(2-amino-4-pyridinyl)-2-methyl-N-(thiophen-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCc2ccsc2)c2c(-c3ccnc(N)c3)c[nH]c2n1
InChIInChI=1S/C17H16N6S/c1-10-22-16(20-7-11-3-5-24-9-11)15-13(8-21-17(15)23-10)12-2-4-19-14(18)6-12/h2-6,8-9H,7H2,1H3,(H2,18,19)(H2,20,21,22,23)
InChIKeyKRWCFCQJKXIENS-UHFFFAOYSA-N
MW336.42 g/mol
LogP3.58
Rot. Bonds4

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

5-(2-amino-4-pyridinyl)-2-methyl-N-(thiophen-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 166629640) has the molecular formula C17H16N6S and a molecular weight of 336.42 g/mol. Its IUPAC name is 5-(2-amino-4-pyridinyl)-2-methyl-N-(thiophen-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(2-amino-4-pyridinyl)-2-methyl-N-(thiophen-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID166629640
Molecular FormulaC17H16N6S
Molecular Weight336.42 g/mol
Exact Mass336.12
IUPAC Name5-(2-amino-4-pyridinyl)-2-methyl-N-(thiophen-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCc2ccsc2)c2c(-c3ccnc(N)c3)c[nH]c2n1
InChIInChI=1S/C17H16N6S/c1-10-22-16(20-7-11-3-5-24-9-11)15-13(8-21-17(15)23-10)12-2-4-19-14(18)6-12/h2-6,8-9H,7H2,1H3,(H2,18,19)(H2,20,21,22,23)
InChIKeyKRWCFCQJKXIENS-UHFFFAOYSA-N
XLogP3.58
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-4-pyridinyl)-2-methyl-N-(thiophen-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(2-amino-4-pyridinyl)-2-methyl-N-(thiophen-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 166629640) is 5-(2-amino-4-pyridinyl)-2-methyl-N-(thiophen-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(2-amino-4-pyridinyl)-2-methyl-N-(thiophen-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(2-amino-4-pyridinyl)-2-methyl-N-(thiophen-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1nc(NCc2ccsc2)c2c(-c3ccnc(N)c3)c[nH]c2n1.
What is the InChIKey of 5-(2-amino-4-pyridinyl)-2-methyl-N-(thiophen-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is KRWCFCQJKXIENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6S/c1-10-22-16(20-7-11-3-5-24-9-11)15-13(8-21-17(15)23-10)12-2-4-19-14(18)6-12/h2-6,8-9H,7H2,1H3,(H2,18,19)(H2,20,21,22,23).
What are the key properties of 5-(2-amino-4-pyridinyl)-2-methyl-N-(thiophen-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
5-(2-amino-4-pyridinyl)-2-methyl-N-(thiophen-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 336.42 g/mol, XLogP of 3.58, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-4-pyridinyl)-2-methyl-N-(thiophen-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 166629640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).