N-butyl-6-methoxyquinazolin-2-amine

C13H17N3O — CID 141287869

IUPACN-butyl-6-methoxyquinazolin-2-amine
SMILESCCCCNc1ncc2cc(OC)ccc2n1
InChIInChI=1S/C13H17N3O/c1-3-4-7-14-13-15-9-10-8-11(17-2)5-6-12(10)16-13/h5-6,8-9H,3-4,7H2,1-2H3,(H,14,15,16)
InChIKeyJPKJRNFQYUSUQO-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.85
Rot. Bonds5

About N-butyl-6-methoxyquinazolin-2-amine

N-butyl-6-methoxyquinazolin-2-amine (PubChem CID 141287869) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-butyl-6-methoxyquinazolin-2-amine.

Molecular Properties

Compound NameN-butyl-6-methoxyquinazolin-2-amine
PubChem CID141287869
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-butyl-6-methoxyquinazolin-2-amine
SMILESCCCCNc1ncc2cc(OC)ccc2n1
InChIInChI=1S/C13H17N3O/c1-3-4-7-14-13-15-9-10-8-11(17-2)5-6-12(10)16-13/h5-6,8-9H,3-4,7H2,1-2H3,(H,14,15,16)
InChIKeyJPKJRNFQYUSUQO-UHFFFAOYSA-N
XLogP2.85
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(6-methoxyquinazolin-2-yl)methyl]propan-1-amine
CID 146331836
N-(3-butoxypropyl)quinazolin-2-amine
CID 114789297
2-(butylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109248366
6-methoxy-2-methylquinazoline
CID 54578216
2-N-butyl-4-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112883016
N-butyl-2-[2-(4-methoxyphenyl)ethylamino]-N-methylpyrimidine-5-carboxamide
CID 109260523
4-N-butyl-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112882836
N-butyl-3-chloro-7-methoxyquinoxalin-2-amine
CID 86055666
5-fluoro-4-(2-fluoro-4-methoxyphenyl)-N-propylpyrimidin-2-amine
CID 115505267
7-methoxy-N-methylpyrimido[4,5-b]quinolin-2-amine
CID 84629665
6-methoxy-2-(propylamino)quinoline-3-carbaldehyde
CID 86669817
N-butyl-4,6-dimethoxypyrimidin-2-amine
CID 19737713

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-methoxyquinazolin-2-amine?
The IUPAC name of N-butyl-6-methoxyquinazolin-2-amine (CID 141287869) is N-butyl-6-methoxyquinazolin-2-amine.
What is the SMILES notation for N-butyl-6-methoxyquinazolin-2-amine?
The canonical SMILES for N-butyl-6-methoxyquinazolin-2-amine is CCCCNc1ncc2cc(OC)ccc2n1.
What is the InChIKey of N-butyl-6-methoxyquinazolin-2-amine?
The InChIKey is JPKJRNFQYUSUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-4-7-14-13-15-9-10-8-11(17-2)5-6-12(10)16-13/h5-6,8-9H,3-4,7H2,1-2H3,(H,14,15,16).
What are the key properties of N-butyl-6-methoxyquinazolin-2-amine?
N-butyl-6-methoxyquinazolin-2-amine has a molecular weight of 231.30 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-methoxyquinazolin-2-amine is sourced from PubChem (CID 141287869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).