N-butyl-6-methoxy-N-methylquinazolin-4-amine

C14H19N3O — CID 21002840

IUPACN-butyl-6-methoxy-N-methylquinazolin-4-amine
SMILESCCCCN(C)c1ncnc2ccc(OC)cc12
InChIInChI=1S/C14H19N3O/c1-4-5-8-17(2)14-12-9-11(18-3)6-7-13(12)15-10-16-14/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyFBLGUBZMCVAUAW-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.87
Rot. Bonds5

About N-butyl-6-methoxy-N-methylquinazolin-4-amine

N-butyl-6-methoxy-N-methylquinazolin-4-amine (PubChem CID 21002840) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-butyl-6-methoxy-N-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-butyl-6-methoxy-N-methylquinazolin-4-amine
PubChem CID21002840
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-butyl-6-methoxy-N-methylquinazolin-4-amine
SMILESCCCCN(C)c1ncnc2ccc(OC)cc12
InChIInChI=1S/C14H19N3O/c1-4-5-8-17(2)14-12-9-11(18-3)6-7-13(12)15-10-16-14/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyFBLGUBZMCVAUAW-UHFFFAOYSA-N
XLogP2.87
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-7-methoxy-N-methylquinazolin-4-amine
CID 21003105
6-methoxy-N,N-bis(2-methoxyethyl)quinazolin-4-amine
CID 21002919
N,6-dimethyl-N-(3-phenoxypropyl)quinazolin-4-amine
CID 112843843
N-ethyl-6-methoxy-N-(2-pyridin-4-ylethyl)quinazolin-4-amine
CID 21002797
N-[2-(4-methoxyphenyl)ethyl]-N-methylquinazolin-4-amine
CID 163348860
6-fluoro-N-[2-(4-fluorophenoxy)ethyl]-N-methylquinazolin-4-amine
CID 78901493
N-(5-bromopentyl)-7-methoxy-N-methylisoquinolin-1-amine
CID 107205211
4-N-butyl-6-N-(2,4-dimethoxyphenyl)-4-N-methyl-5-nitropyrimidine-4,6-diamine
CID 23491711
6-fluoro-N-[2-(2-methoxyphenyl)ethyl]-N-methylquinazolin-4-amine
CID 133300967
3-[butyl(propyl)amino]-6-methoxyquinoline-4-carbonitrile
CID 176958580
2-(6-methoxyquinazolin-4-yl)ethanamine
CID 105455353
4-(5-methoxybenzotriazol-2-yl)-N-methyl-N-octylaniline
CID 19925966

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-methoxy-N-methylquinazolin-4-amine?
The IUPAC name of N-butyl-6-methoxy-N-methylquinazolin-4-amine (CID 21002840) is N-butyl-6-methoxy-N-methylquinazolin-4-amine.
What is the SMILES notation for N-butyl-6-methoxy-N-methylquinazolin-4-amine?
The canonical SMILES for N-butyl-6-methoxy-N-methylquinazolin-4-amine is CCCCN(C)c1ncnc2ccc(OC)cc12.
What is the InChIKey of N-butyl-6-methoxy-N-methylquinazolin-4-amine?
The InChIKey is FBLGUBZMCVAUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-5-8-17(2)14-12-9-11(18-3)6-7-13(12)15-10-16-14/h6-7,9-10H,4-5,8H2,1-3H3.
What are the key properties of N-butyl-6-methoxy-N-methylquinazolin-4-amine?
N-butyl-6-methoxy-N-methylquinazolin-4-amine has a molecular weight of 245.33 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-methoxy-N-methylquinazolin-4-amine is sourced from PubChem (CID 21002840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).