5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C8H10N4 — CID 13041142

IUPAC5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1[nH]c2ncnc(N)c2c1C
InChIInChI=1S/C8H10N4/c1-4-5(2)12-8-6(4)7(9)10-3-11-8/h3H,1-2H3,(H3,9,10,11,12)
InChIKeyPXHWVPTTWWSNJU-UHFFFAOYSA-N
MW162.20 g/mol
LogP1.16
Rot. Bonds

About 5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 13041142) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID13041142
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1[nH]c2ncnc(N)c2c1C
InChIInChI=1S/C8H10N4/c1-4-5(2)12-8-6(4)7(9)10-3-11-8/h3H,1-2H3,(H3,9,10,11,12)
InChIKeyPXHWVPTTWWSNJU-UHFFFAOYSA-N
XLogP1.16
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 13041142) is 5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1[nH]c2ncnc(N)c2c1C.
What is the InChIKey of 5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is PXHWVPTTWWSNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c1-4-5(2)12-8-6(4)7(9)10-3-11-8/h3H,1-2H3,(H3,9,10,11,12).
What are the key properties of 5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 162.20 g/mol, XLogP of 1.16, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 13041142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).