6-N-cyclopropyl-2-N-pyridin-4-yl-7H-purine-2,6-diamine

C13H13N7 — CID 25121463

IUPAC6-N-cyclopropyl-2-N-pyridin-4-yl-7H-purine-2,6-diamine
SMILESc1cc(Nc2nc(NC3CC3)c3[nH]cnc3n2)ccn1
InChIInChI=1S/C13H13N7/c1-2-8(1)17-12-10-11(16-7-15-10)19-13(20-12)18-9-3-5-14-6-4-9/h3-8H,1-2H2,(H3,14,15,16,17,18,19,20)
InChIKeyMMQLAGFVWKYYCH-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.07
Rot. Bonds4

About 6-N-cyclopropyl-2-N-pyridin-4-yl-7H-purine-2,6-diamine

6-N-cyclopropyl-2-N-pyridin-4-yl-7H-purine-2,6-diamine (PubChem CID 25121463) has the molecular formula C13H13N7 and a molecular weight of 267.30 g/mol. Its IUPAC name is 6-N-cyclopropyl-2-N-pyridin-4-yl-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-cyclopropyl-2-N-pyridin-4-yl-7H-purine-2,6-diamine
PubChem CID25121463
Molecular FormulaC13H13N7
Molecular Weight267.30 g/mol
Exact Mass267.12
IUPAC Name6-N-cyclopropyl-2-N-pyridin-4-yl-7H-purine-2,6-diamine
SMILESc1cc(Nc2nc(NC3CC3)c3[nH]cnc3n2)ccn1
InChIInChI=1S/C13H13N7/c1-2-8(1)17-12-10-11(16-7-15-10)19-13(20-12)18-9-3-5-14-6-4-9/h3-8H,1-2H2,(H3,14,15,16,17,18,19,20)
InChIKeyMMQLAGFVWKYYCH-UHFFFAOYSA-N
XLogP2.07
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopropyl-2-N-pyridin-4-yl-7H-purine-2,6-diamine?
The IUPAC name of 6-N-cyclopropyl-2-N-pyridin-4-yl-7H-purine-2,6-diamine (CID 25121463) is 6-N-cyclopropyl-2-N-pyridin-4-yl-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-cyclopropyl-2-N-pyridin-4-yl-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-cyclopropyl-2-N-pyridin-4-yl-7H-purine-2,6-diamine is c1cc(Nc2nc(NC3CC3)c3[nH]cnc3n2)ccn1.
What is the InChIKey of 6-N-cyclopropyl-2-N-pyridin-4-yl-7H-purine-2,6-diamine?
The InChIKey is MMQLAGFVWKYYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7/c1-2-8(1)17-12-10-11(16-7-15-10)19-13(20-12)18-9-3-5-14-6-4-9/h3-8H,1-2H2,(H3,14,15,16,17,18,19,20).
What are the key properties of 6-N-cyclopropyl-2-N-pyridin-4-yl-7H-purine-2,6-diamine?
6-N-cyclopropyl-2-N-pyridin-4-yl-7H-purine-2,6-diamine has a molecular weight of 267.30 g/mol, XLogP of 2.07, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclopropyl-2-N-pyridin-4-yl-7H-purine-2,6-diamine is sourced from PubChem (CID 25121463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).