6-methyl-N,N-bis(2-methylpropyl)quinazolin-4-amine;hydrochloride

C17H26ClN3 — CID 18558695

IUPAC6-methyl-N,N-bis(2-methylpropyl)quinazolin-4-amine;hydrochloride
SMILESCc1ccc2ncnc(N(CC(C)C)CC(C)C)c2c1.Cl
InChIInChI=1S/C17H25N3.ClH/c1-12(2)9-20(10-13(3)4)17-15-8-14(5)6-7-16(15)18-11-19-17;/h6-8,11-13H,9-10H2,1-5H3;1H
InChIKeyHCIQMRMHTMEDMQ-UHFFFAOYSA-N
MW307.87 g/mol
LogP4.48
Rot. Bonds5

About 6-methyl-N,N-bis(2-methylpropyl)quinazolin-4-amine;hydrochloride

6-methyl-N,N-bis(2-methylpropyl)quinazolin-4-amine;hydrochloride (PubChem CID 18558695) has the molecular formula C17H26ClN3 and a molecular weight of 307.87 g/mol. Its IUPAC name is 6-methyl-N,N-bis(2-methylpropyl)quinazolin-4-amine;hydrochloride.

Molecular Properties

Compound Name6-methyl-N,N-bis(2-methylpropyl)quinazolin-4-amine;hydrochloride
PubChem CID18558695
Molecular FormulaC17H26ClN3
Molecular Weight307.87 g/mol
Exact Mass307.18
IUPAC Name6-methyl-N,N-bis(2-methylpropyl)quinazolin-4-amine;hydrochloride
SMILESCc1ccc2ncnc(N(CC(C)C)CC(C)C)c2c1.Cl
InChIInChI=1S/C17H25N3.ClH/c1-12(2)9-20(10-13(3)4)17-15-8-14(5)6-7-16(15)18-11-19-17;/h6-8,11-13H,9-10H2,1-5H3;1H
InChIKeyHCIQMRMHTMEDMQ-UHFFFAOYSA-N
XLogP4.48
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.87
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N,N-bis(2-methylpropyl)quinazolin-4-amine;hydrochloride?
The IUPAC name of 6-methyl-N,N-bis(2-methylpropyl)quinazolin-4-amine;hydrochloride (CID 18558695) is 6-methyl-N,N-bis(2-methylpropyl)quinazolin-4-amine;hydrochloride.
What is the SMILES notation for 6-methyl-N,N-bis(2-methylpropyl)quinazolin-4-amine;hydrochloride?
The canonical SMILES for 6-methyl-N,N-bis(2-methylpropyl)quinazolin-4-amine;hydrochloride is Cc1ccc2ncnc(N(CC(C)C)CC(C)C)c2c1.Cl.
What is the InChIKey of 6-methyl-N,N-bis(2-methylpropyl)quinazolin-4-amine;hydrochloride?
The InChIKey is HCIQMRMHTMEDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3.ClH/c1-12(2)9-20(10-13(3)4)17-15-8-14(5)6-7-16(15)18-11-19-17;/h6-8,11-13H,9-10H2,1-5H3;1H.
What are the key properties of 6-methyl-N,N-bis(2-methylpropyl)quinazolin-4-amine;hydrochloride?
6-methyl-N,N-bis(2-methylpropyl)quinazolin-4-amine;hydrochloride has a molecular weight of 307.87 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N,N-bis(2-methylpropyl)quinazolin-4-amine;hydrochloride is sourced from PubChem (CID 18558695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).