7-methylpyrrolo[2,3-d]pyrimidine-2,4-diamine

C7H9N5 — CID 58813306

IUPAC7-methylpyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCn1ccc2c(N)nc(N)nc21
InChIInChI=1S/C7H9N5/c1-12-3-2-4-5(8)10-7(9)11-6(4)12/h2-3H,1H3,(H4,8,9,10,11)
InChIKeyNDOUJZKOINDEKJ-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.13
Rot. Bonds

About 7-methylpyrrolo[2,3-d]pyrimidine-2,4-diamine

7-methylpyrrolo[2,3-d]pyrimidine-2,4-diamine (PubChem CID 58813306) has the molecular formula C7H9N5 and a molecular weight of 163.18 g/mol. Its IUPAC name is 7-methylpyrrolo[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name7-methylpyrrolo[2,3-d]pyrimidine-2,4-diamine
PubChem CID58813306
Molecular FormulaC7H9N5
Molecular Weight163.18 g/mol
Exact Mass163.09
IUPAC Name7-methylpyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCn1ccc2c(N)nc(N)nc21
InChIInChI=1S/C7H9N5/c1-12-3-2-4-5(8)10-7(9)11-6(4)12/h2-3H,1H3,(H4,8,9,10,11)
InChIKeyNDOUJZKOINDEKJ-UHFFFAOYSA-N
XLogP0.13
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methylpyrrolo[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 7-methylpyrrolo[2,3-d]pyrimidine-2,4-diamine (CID 58813306) is 7-methylpyrrolo[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 7-methylpyrrolo[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 7-methylpyrrolo[2,3-d]pyrimidine-2,4-diamine is Cn1ccc2c(N)nc(N)nc21.
What is the InChIKey of 7-methylpyrrolo[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is NDOUJZKOINDEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5/c1-12-3-2-4-5(8)10-7(9)11-6(4)12/h2-3H,1H3,(H4,8,9,10,11).
What are the key properties of 7-methylpyrrolo[2,3-d]pyrimidine-2,4-diamine?
7-methylpyrrolo[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 163.18 g/mol, XLogP of 0.13, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylpyrrolo[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 58813306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).