4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C7H8N4O — CID 12830522

IUPAC4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOc1nc(N)nc2[nH]ccc12
InChIInChI=1S/C7H8N4O/c1-12-6-4-2-3-9-5(4)10-7(8)11-6/h2-3H,1H3,(H3,8,9,10,11)
InChIKeyCNPURSDMOWDNOQ-UHFFFAOYSA-N
MW164.17 g/mol
LogP0.55
Rot. Bonds1

About 4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine

4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 12830522) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID12830522
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOc1nc(N)nc2[nH]ccc12
InChIInChI=1S/C7H8N4O/c1-12-6-4-2-3-9-5(4)10-7(8)11-6/h2-3H,1H3,(H3,8,9,10,11)
InChIKeyCNPURSDMOWDNOQ-UHFFFAOYSA-N
XLogP0.55
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 12830522) is 4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine is COc1nc(N)nc2[nH]ccc12.
What is the InChIKey of 4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is CNPURSDMOWDNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c1-12-6-4-2-3-9-5(4)10-7(8)11-6/h2-3H,1H3,(H3,8,9,10,11).
What are the key properties of 4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 164.17 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 12830522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).