2-methyl-1,4-dihydropteridine

C7H8N4 — CID 45080413

IUPAC2-methyl-1,4-dihydropteridine
SMILESCC1=NCc2nccnc2N1
InChIInChI=1S/C7H8N4/c1-5-10-4-6-7(11-5)9-3-2-8-6/h2-3H,4H2,1H3,(H,9,10,11)
InChIKeyPPKCJRSFKAIQMJ-UHFFFAOYSA-N
MW148.17 g/mol
LogP0.82
Rot. Bonds

About 2-methyl-1,4-dihydropteridine

2-methyl-1,4-dihydropteridine (PubChem CID 45080413) has the molecular formula C7H8N4 and a molecular weight of 148.17 g/mol. Its IUPAC name is 2-methyl-1,4-dihydropteridine.

Molecular Properties

Compound Name2-methyl-1,4-dihydropteridine
PubChem CID45080413
Molecular FormulaC7H8N4
Molecular Weight148.17 g/mol
Exact Mass148.07
IUPAC Name2-methyl-1,4-dihydropteridine
SMILESCC1=NCc2nccnc2N1
InChIInChI=1S/C7H8N4/c1-5-10-4-6-7(11-5)9-3-2-8-6/h2-3H,4H2,1H3,(H,9,10,11)
InChIKeyPPKCJRSFKAIQMJ-UHFFFAOYSA-N
XLogP0.82
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,4-dihydropteridine?
The IUPAC name of 2-methyl-1,4-dihydropteridine (CID 45080413) is 2-methyl-1,4-dihydropteridine.
What is the SMILES notation for 2-methyl-1,4-dihydropteridine?
The canonical SMILES for 2-methyl-1,4-dihydropteridine is CC1=NCc2nccnc2N1.
What is the InChIKey of 2-methyl-1,4-dihydropteridine?
The InChIKey is PPKCJRSFKAIQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4/c1-5-10-4-6-7(11-5)9-3-2-8-6/h2-3H,4H2,1H3,(H,9,10,11).
What are the key properties of 2-methyl-1,4-dihydropteridine?
2-methyl-1,4-dihydropteridine has a molecular weight of 148.17 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,4-dihydropteridine is sourced from PubChem (CID 45080413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).