2-(pyridin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C12H11N5 — CID 135336159

IUPAC2-(pyridin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1nc(Cc2ccccn2)nc2[nH]ccc12
InChIInChI=1S/C12H11N5/c13-11-9-4-6-15-12(9)17-10(16-11)7-8-3-1-2-5-14-8/h1-6H,7H2,(H3,13,15,16,17)
InChIKeyJXZKIFAEDYMUGY-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.53
Rot. Bonds2

About 2-(pyridin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

2-(pyridin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 135336159) has the molecular formula C12H11N5 and a molecular weight of 225.26 g/mol. Its IUPAC name is 2-(pyridin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(pyridin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID135336159
Molecular FormulaC12H11N5
Molecular Weight225.26 g/mol
Exact Mass225.10
IUPAC Name2-(pyridin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1nc(Cc2ccccn2)nc2[nH]ccc12
InChIInChI=1S/C12H11N5/c13-11-9-4-6-15-12(9)17-10(16-11)7-8-3-1-2-5-14-8/h1-6H,7H2,(H3,13,15,16,17)
InChIKeyJXZKIFAEDYMUGY-UHFFFAOYSA-N
XLogP1.53
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-thiazol-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 175868302
2-[(2-fluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175868327
2-[(2,6-difluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 135336170
6-methyl-5-propan-2-yl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 55130882
2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 71122482
4-(6-amino-3-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70773886
2-iodo-4-(pyridin-2-ylmethyl)-1,3,5-triazine
CID 134267009
2-[[3,5-bis(pyridin-2-ylmethyl)phenyl]methyl]pyridine
CID 102075718
[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]hydrazine
CID 62596515
5-iodo-3-(pyridin-2-ylmethyl)-1,2,4-thiadiazole
CID 102618578
4-(5-fluoro-2-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70757798
N-methyl-1-[5-methyl-2-(pyridin-2-ylmethyl)pyrimidin-4-yl]methanamine
CID 114245179

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(pyridin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 135336159) is 2-(pyridin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(pyridin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(pyridin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Nc1nc(Cc2ccccn2)nc2[nH]ccc12.
What is the InChIKey of 2-(pyridin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is JXZKIFAEDYMUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c13-11-9-4-6-15-12(9)17-10(16-11)7-8-3-1-2-5-14-8/h1-6H,7H2,(H3,13,15,16,17).
What are the key properties of 2-(pyridin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
2-(pyridin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 225.26 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 135336159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).