3,5-dimethyl-2H-quinazolin-6-amine

C10H13N3 — CID 172743676

IUPAC3,5-dimethyl-2H-quinazolin-6-amine
SMILESCc1c(N)ccc2c1=CN(C)CN=2
InChIInChI=1S/C10H13N3/c1-7-8-5-13(2)6-12-10(8)4-3-9(7)11/h3-5H,6,11H2,1-2H3
InChIKeyJKXWIGWPBXBDKR-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.16
Rot. Bonds

About 3,5-dimethyl-2H-quinazolin-6-amine

3,5-dimethyl-2H-quinazolin-6-amine (PubChem CID 172743676) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 3,5-dimethyl-2H-quinazolin-6-amine.

Molecular Properties

Compound Name3,5-dimethyl-2H-quinazolin-6-amine
PubChem CID172743676
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name3,5-dimethyl-2H-quinazolin-6-amine
SMILESCc1c(N)ccc2c1=CN(C)CN=2
InChIInChI=1S/C10H13N3/c1-7-8-5-13(2)6-12-10(8)4-3-9(7)11/h3-5H,6,11H2,1-2H3
InChIKeyJKXWIGWPBXBDKR-UHFFFAOYSA-N
XLogP-0.16
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2H-quinazolin-6-amine?
The IUPAC name of 3,5-dimethyl-2H-quinazolin-6-amine (CID 172743676) is 3,5-dimethyl-2H-quinazolin-6-amine.
What is the SMILES notation for 3,5-dimethyl-2H-quinazolin-6-amine?
The canonical SMILES for 3,5-dimethyl-2H-quinazolin-6-amine is Cc1c(N)ccc2c1=CN(C)CN=2.
What is the InChIKey of 3,5-dimethyl-2H-quinazolin-6-amine?
The InChIKey is JKXWIGWPBXBDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-7-8-5-13(2)6-12-10(8)4-3-9(7)11/h3-5H,6,11H2,1-2H3.
What are the key properties of 3,5-dimethyl-2H-quinazolin-6-amine?
3,5-dimethyl-2H-quinazolin-6-amine has a molecular weight of 175.23 g/mol, XLogP of -0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2H-quinazolin-6-amine is sourced from PubChem (CID 172743676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).