2-methyl-2,3,4,7-tetrahydro-1H-purine

C6H10N4 — CID 67427436

IUPAC2-methyl-2,3,4,7-tetrahydro-1H-purine
SMILESCC1NC=C2NC=NC2N1
InChIInChI=1S/C6H10N4/c1-4-7-2-5-6(10-4)9-3-8-5/h2-4,6-7,10H,1H3,(H,8,9)
InChIKeyZKXSRSWURGQWLC-UHFFFAOYSA-N
MW138.17 g/mol
LogP-0.68
Rot. Bonds

About 2-methyl-2,3,4,7-tetrahydro-1H-purine

2-methyl-2,3,4,7-tetrahydro-1H-purine (PubChem CID 67427436) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 2-methyl-2,3,4,7-tetrahydro-1H-purine.

Molecular Properties

Compound Name2-methyl-2,3,4,7-tetrahydro-1H-purine
PubChem CID67427436
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name2-methyl-2,3,4,7-tetrahydro-1H-purine
SMILESCC1NC=C2NC=NC2N1
InChIInChI=1S/C6H10N4/c1-4-7-2-5-6(10-4)9-3-8-5/h2-4,6-7,10H,1H3,(H,8,9)
InChIKeyZKXSRSWURGQWLC-UHFFFAOYSA-N
XLogP-0.68
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,3,4,7-tetrahydro-1H-purine?
The IUPAC name of 2-methyl-2,3,4,7-tetrahydro-1H-purine (CID 67427436) is 2-methyl-2,3,4,7-tetrahydro-1H-purine.
What is the SMILES notation for 2-methyl-2,3,4,7-tetrahydro-1H-purine?
The canonical SMILES for 2-methyl-2,3,4,7-tetrahydro-1H-purine is CC1NC=C2NC=NC2N1.
What is the InChIKey of 2-methyl-2,3,4,7-tetrahydro-1H-purine?
The InChIKey is ZKXSRSWURGQWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4/c1-4-7-2-5-6(10-4)9-3-8-5/h2-4,6-7,10H,1H3,(H,8,9).
What are the key properties of 2-methyl-2,3,4,7-tetrahydro-1H-purine?
2-methyl-2,3,4,7-tetrahydro-1H-purine has a molecular weight of 138.17 g/mol, XLogP of -0.68, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,3,4,7-tetrahydro-1H-purine is sourced from PubChem (CID 67427436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).