N-tert-butyl-6-chloroquinazolin-4-amine

C12H14ClN3 — CID 119092250

IUPACN-tert-butyl-6-chloroquinazolin-4-amine
SMILESCC(C)(C)Nc1ncnc2ccc(Cl)cc12
InChIInChI=1S/C12H14ClN3/c1-12(2,3)16-11-9-6-8(13)4-5-10(9)14-7-15-11/h4-7H,1-3H3,(H,14,15,16)
InChIKeyCVJWWIWFWMVRKE-UHFFFAOYSA-N
MW235.72 g/mol
LogP3.49
Rot. Bonds1

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

N-tert-butyl-6-chloroquinazolin-4-amine (PubChem CID 119092250) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is N-tert-butyl-6-chloroquinazolin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-6-chloroquinazolin-4-amine
PubChem CID119092250
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC NameN-tert-butyl-6-chloroquinazolin-4-amine
SMILESCC(C)(C)Nc1ncnc2ccc(Cl)cc12
InChIInChI=1S/C12H14ClN3/c1-12(2,3)16-11-9-6-8(13)4-5-10(9)14-7-15-11/h4-7H,1-3H3,(H,14,15,16)
InChIKeyCVJWWIWFWMVRKE-UHFFFAOYSA-N
XLogP3.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-6-methylquinazolin-4-amine
CID 21002439
6-chloro-N-cyclopropylquinazolin-4-amine
CID 13231191
6-chloro-N-cyclobutylquinazolin-4-amine
CID 13231187
6-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 70854816
6-chloro-N-[(2-chlorophenyl)methyl]quinazolin-4-amine
CID 46879729
6-chloro-N-cyclohexylquinazolin-4-amine
CID 13231193
6-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine
CID 70854812
6-chloro-N-[2-(4-ethoxyphenyl)ethyl]quinazolin-4-amine
CID 23631998
N-[(4-chlorophenyl)methyl]-6-ethylquinazolin-4-amine
CID 21002588
N-tert-butyl-4-[[(6-chloroquinazolin-4-yl)amino]methyl]piperidine-1-carboxamide
CID 138988346
6-chloro-N-[2-(4-propan-2-yloxyphenyl)ethyl]quinazolin-4-amine
CID 23632000
CID 90466536
CID 90466536

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-chloroquinazolin-4-amine?
The IUPAC name of N-tert-butyl-6-chloroquinazolin-4-amine (CID 119092250) is N-tert-butyl-6-chloroquinazolin-4-amine.
What is the SMILES notation for N-tert-butyl-6-chloroquinazolin-4-amine?
The canonical SMILES for N-tert-butyl-6-chloroquinazolin-4-amine is CC(C)(C)Nc1ncnc2ccc(Cl)cc12.
What is the InChIKey of N-tert-butyl-6-chloroquinazolin-4-amine?
The InChIKey is CVJWWIWFWMVRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-12(2,3)16-11-9-6-8(13)4-5-10(9)14-7-15-11/h4-7H,1-3H3,(H,14,15,16).
What are the key properties of N-tert-butyl-6-chloroquinazolin-4-amine?
N-tert-butyl-6-chloroquinazolin-4-amine has a molecular weight of 235.72 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-chloroquinazolin-4-amine is sourced from PubChem (CID 119092250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).