7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

C6H7N5 — CID 10351855

IUPAC7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESNc1nc(N)c2cc[nH]c2n1
InChIInChI=1S/C6H7N5/c7-4-3-1-2-9-5(3)11-6(8)10-4/h1-2H,(H5,7,8,9,10,11)
InChIKeyXVTARVYKZCLFGX-UHFFFAOYSA-N
MW149.16 g/mol
LogP0.12
Rot. Bonds

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

7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (PubChem CID 10351855) has the molecular formula C6H7N5 and a molecular weight of 149.16 g/mol. Its IUPAC name is 7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
PubChem CID10351855
Molecular FormulaC6H7N5
Molecular Weight149.16 g/mol
Exact Mass149.07
IUPAC Name7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESNc1nc(N)c2cc[nH]c2n1
InChIInChI=1S/C6H7N5/c7-4-3-1-2-9-5(3)11-6(8)10-4/h1-2H,(H5,7,8,9,10,11)
InChIKeyXVTARVYKZCLFGX-UHFFFAOYSA-N
XLogP0.12
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.16
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (CID 10351855) is 7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is Nc1nc(N)c2cc[nH]c2n1.
What is the InChIKey of 7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is XVTARVYKZCLFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5/c7-4-3-1-2-9-5(3)11-6(8)10-4/h1-2H,(H5,7,8,9,10,11).
What are the key properties of 7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 149.16 g/mol, XLogP of 0.12, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 10351855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).