4-tert-butyl-2-chloroquinazolin-6-amine

C12H14ClN3 — CID 105497168

IUPAC4-tert-butyl-2-chloroquinazolin-6-amine
SMILESCC(C)(C)c1nc(Cl)nc2ccc(N)cc12
InChIInChI=1S/C12H14ClN3/c1-12(2,3)10-8-6-7(14)4-5-9(8)15-11(13)16-10/h4-6H,14H2,1-3H3
InChIKeySGWCNTUHXMDZMH-UHFFFAOYSA-N
MW235.72 g/mol
LogP3.16
Rot. Bonds

About 4-tert-butyl-2-chloroquinazolin-6-amine

4-tert-butyl-2-chloroquinazolin-6-amine (PubChem CID 105497168) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 4-tert-butyl-2-chloroquinazolin-6-amine.

Molecular Properties

Compound Name4-tert-butyl-2-chloroquinazolin-6-amine
PubChem CID105497168
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name4-tert-butyl-2-chloroquinazolin-6-amine
SMILESCC(C)(C)c1nc(Cl)nc2ccc(N)cc12
InChIInChI=1S/C12H14ClN3/c1-12(2,3)10-8-6-7(14)4-5-9(8)15-11(13)16-10/h4-6H,14H2,1-3H3
InChIKeySGWCNTUHXMDZMH-UHFFFAOYSA-N
XLogP3.16
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-methylquinazolin-6-amine
CID 124908084
2-tert-butyl-4-N-methylquinoline-4,6-diamine
CID 112655262
4-N,2-diethylquinoline-4,6-diamine
CID 112655264
4-N-ethyl-2-propylquinoline-4,6-diamine
CID 112655265
2-tert-butyl-1,3-benzoxazol-6-amine
CID 39112039
4-(trifluoromethyl)quinazolin-6-amine
CID 105466490
2,4-diaminoquinazoline-6-carbonitrile;quinazoline-2,4,6-triamine
CID 160928089
4-N-(2,2-difluoroethyl)-2-methylquinoline-4,6-diamine
CID 113383859
2-methyl-4-methylsulfanylquinolin-6-amine
CID 18007705
6-tert-butyl-2-chloropyrimidin-4-amine
CID 58008872
4-ethyl-3-methylquinoline-2,6-diamine
CID 22018922
3-chloro-2-ethylindazol-5-amine
CID 84720626

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-chloroquinazolin-6-amine?
The IUPAC name of 4-tert-butyl-2-chloroquinazolin-6-amine (CID 105497168) is 4-tert-butyl-2-chloroquinazolin-6-amine.
What is the SMILES notation for 4-tert-butyl-2-chloroquinazolin-6-amine?
The canonical SMILES for 4-tert-butyl-2-chloroquinazolin-6-amine is CC(C)(C)c1nc(Cl)nc2ccc(N)cc12.
What is the InChIKey of 4-tert-butyl-2-chloroquinazolin-6-amine?
The InChIKey is SGWCNTUHXMDZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-12(2,3)10-8-6-7(14)4-5-9(8)15-11(13)16-10/h4-6H,14H2,1-3H3.
What are the key properties of 4-tert-butyl-2-chloroquinazolin-6-amine?
4-tert-butyl-2-chloroquinazolin-6-amine has a molecular weight of 235.72 g/mol, XLogP of 3.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-chloroquinazolin-6-amine is sourced from PubChem (CID 105497168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).