2-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C11H10ClN5O — CID 166257719

IUPAC2-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cc(CNc2nc(Cl)nc3[nH]ccc23)no1
InChIInChI=1S/C11H10ClN5O/c1-6-4-7(17-18-6)5-14-10-8-2-3-13-9(8)15-11(12)16-10/h2-4H,5H2,1H3,(H2,13,14,15,16)
InChIKeyLIWVGPQDQNOFKX-UHFFFAOYSA-N
MW263.69 g/mol
LogP2.52
Rot. Bonds3

About 2-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

2-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 166257719) has the molecular formula C11H10ClN5O and a molecular weight of 263.69 g/mol. Its IUPAC name is 2-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID166257719
Molecular FormulaC11H10ClN5O
Molecular Weight263.69 g/mol
Exact Mass263.06
IUPAC Name2-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cc(CNc2nc(Cl)nc3[nH]ccc23)no1
InChIInChI=1S/C11H10ClN5O/c1-6-4-7(17-18-6)5-14-10-8-2-3-13-9(8)15-11(12)16-10/h2-4H,5H2,1H3,(H2,13,14,15,16)
InChIKeyLIWVGPQDQNOFKX-UHFFFAOYSA-N
XLogP2.52
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.69
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 166257719) is 2-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1cc(CNc2nc(Cl)nc3[nH]ccc23)no1.
What is the InChIKey of 2-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is LIWVGPQDQNOFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5O/c1-6-4-7(17-18-6)5-14-10-8-2-3-13-9(8)15-11(12)16-10/h2-4H,5H2,1H3,(H2,13,14,15,16).
What are the key properties of 2-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
2-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 263.69 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 166257719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).