N-(1-methoxybutan-2-yl)quinazolin-4-amine

C13H17N3O — CID 20545321

IUPACN-(1-methoxybutan-2-yl)quinazolin-4-amine
SMILESCCC(COC)Nc1ncnc2ccccc12
InChIInChI=1S/C13H17N3O/c1-3-10(8-17-2)16-13-11-6-4-5-7-12(11)14-9-15-13/h4-7,9-10H,3,8H2,1-2H3,(H,14,15,16)
InChIKeyYMKVCIVMVPIZLN-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.47
Rot. Bonds5

About N-(1-methoxybutan-2-yl)quinazolin-4-amine

N-(1-methoxybutan-2-yl)quinazolin-4-amine (PubChem CID 20545321) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(1-methoxybutan-2-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(1-methoxybutan-2-yl)quinazolin-4-amine
PubChem CID20545321
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-(1-methoxybutan-2-yl)quinazolin-4-amine
SMILESCCC(COC)Nc1ncnc2ccccc12
InChIInChI=1S/C13H17N3O/c1-3-10(8-17-2)16-13-11-6-4-5-7-12(11)14-9-15-13/h4-7,9-10H,3,8H2,1-2H3,(H,14,15,16)
InChIKeyYMKVCIVMVPIZLN-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxybutan-2-yl)quinazolin-4-amine?
The IUPAC name of N-(1-methoxybutan-2-yl)quinazolin-4-amine (CID 20545321) is N-(1-methoxybutan-2-yl)quinazolin-4-amine.
What is the SMILES notation for N-(1-methoxybutan-2-yl)quinazolin-4-amine?
The canonical SMILES for N-(1-methoxybutan-2-yl)quinazolin-4-amine is CCC(COC)Nc1ncnc2ccccc12.
What is the InChIKey of N-(1-methoxybutan-2-yl)quinazolin-4-amine?
The InChIKey is YMKVCIVMVPIZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-10(8-17-2)16-13-11-6-4-5-7-12(11)14-9-15-13/h4-7,9-10H,3,8H2,1-2H3,(H,14,15,16).
What are the key properties of N-(1-methoxybutan-2-yl)quinazolin-4-amine?
N-(1-methoxybutan-2-yl)quinazolin-4-amine has a molecular weight of 231.30 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxybutan-2-yl)quinazolin-4-amine is sourced from PubChem (CID 20545321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).