6,7-dimethoxy-2-methyl-N-propan-2-ylquinazolin-4-amine

C14H19N3O2 — CID 177115997

IUPAC6,7-dimethoxy-2-methyl-N-propan-2-ylquinazolin-4-amine
SMILESCOc1cc2nc(C)nc(NC(C)C)c2cc1OC
InChIInChI=1S/C14H19N3O2/c1-8(2)15-14-10-6-12(18-4)13(19-5)7-11(10)16-9(3)17-14/h6-8H,1-5H3,(H,15,16,17)
InChIKeyCZXIEAWHXKKPNT-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.78
Rot. Bonds4

About 6,7-dimethoxy-2-methyl-N-propan-2-ylquinazolin-4-amine

6,7-dimethoxy-2-methyl-N-propan-2-ylquinazolin-4-amine (PubChem CID 177115997) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 6,7-dimethoxy-2-methyl-N-propan-2-ylquinazolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-2-methyl-N-propan-2-ylquinazolin-4-amine
PubChem CID177115997
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name6,7-dimethoxy-2-methyl-N-propan-2-ylquinazolin-4-amine
SMILESCOc1cc2nc(C)nc(NC(C)C)c2cc1OC
InChIInChI=1S/C14H19N3O2/c1-8(2)15-14-10-6-12(18-4)13(19-5)7-11(10)16-9(3)17-14/h6-8H,1-5H3,(H,15,16,17)
InChIKeyCZXIEAWHXKKPNT-UHFFFAOYSA-N
XLogP2.78
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-methyl-N-propan-2-ylquinazolin-4-amine?
The IUPAC name of 6,7-dimethoxy-2-methyl-N-propan-2-ylquinazolin-4-amine (CID 177115997) is 6,7-dimethoxy-2-methyl-N-propan-2-ylquinazolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-2-methyl-N-propan-2-ylquinazolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-2-methyl-N-propan-2-ylquinazolin-4-amine is COc1cc2nc(C)nc(NC(C)C)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-methyl-N-propan-2-ylquinazolin-4-amine?
The InChIKey is CZXIEAWHXKKPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-8(2)15-14-10-6-12(18-4)13(19-5)7-11(10)16-9(3)17-14/h6-8H,1-5H3,(H,15,16,17).
What are the key properties of 6,7-dimethoxy-2-methyl-N-propan-2-ylquinazolin-4-amine?
6,7-dimethoxy-2-methyl-N-propan-2-ylquinazolin-4-amine has a molecular weight of 261.32 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-methyl-N-propan-2-ylquinazolin-4-amine is sourced from PubChem (CID 177115997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).