7-methylpyrrolo[2,3-d]pyrimidin-5-amine

C7H8N4 — CID 82375489

IUPAC7-methylpyrrolo[2,3-d]pyrimidin-5-amine
SMILESCn1cc(N)c2cncnc21
InChIInChI=1S/C7H8N4/c1-11-3-6(8)5-2-9-4-10-7(5)11/h2-4H,8H2,1H3
InChIKeyWJJWLNUPEKLUBN-UHFFFAOYSA-N
MW148.17 g/mol
LogP0.55
Rot. Bonds

About 7-methylpyrrolo[2,3-d]pyrimidin-5-amine

7-methylpyrrolo[2,3-d]pyrimidin-5-amine (PubChem CID 82375489) has the molecular formula C7H8N4 and a molecular weight of 148.17 g/mol. Its IUPAC name is 7-methylpyrrolo[2,3-d]pyrimidin-5-amine.

Molecular Properties

Compound Name7-methylpyrrolo[2,3-d]pyrimidin-5-amine
PubChem CID82375489
Molecular FormulaC7H8N4
Molecular Weight148.17 g/mol
Exact Mass148.07
IUPAC Name7-methylpyrrolo[2,3-d]pyrimidin-5-amine
SMILESCn1cc(N)c2cncnc21
InChIInChI=1S/C7H8N4/c1-11-3-6(8)5-2-9-4-10-7(5)11/h2-4H,8H2,1H3
InChIKeyWJJWLNUPEKLUBN-UHFFFAOYSA-N
XLogP0.55
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methylpyrrolo[2,3-d]pyrimidin-5-amine?
The IUPAC name of 7-methylpyrrolo[2,3-d]pyrimidin-5-amine (CID 82375489) is 7-methylpyrrolo[2,3-d]pyrimidin-5-amine.
What is the SMILES notation for 7-methylpyrrolo[2,3-d]pyrimidin-5-amine?
The canonical SMILES for 7-methylpyrrolo[2,3-d]pyrimidin-5-amine is Cn1cc(N)c2cncnc21.
What is the InChIKey of 7-methylpyrrolo[2,3-d]pyrimidin-5-amine?
The InChIKey is WJJWLNUPEKLUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4/c1-11-3-6(8)5-2-9-4-10-7(5)11/h2-4H,8H2,1H3.
What are the key properties of 7-methylpyrrolo[2,3-d]pyrimidin-5-amine?
7-methylpyrrolo[2,3-d]pyrimidin-5-amine has a molecular weight of 148.17 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylpyrrolo[2,3-d]pyrimidin-5-amine is sourced from PubChem (CID 82375489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).