4-tert-butylsulfanylquinazolin-2-amine

C12H15N3S — CID 80887043

IUPAC4-tert-butylsulfanylquinazolin-2-amine
SMILESCC(C)(C)Sc1nc(N)nc2ccccc12
InChIInChI=1S/C12H15N3S/c1-12(2,3)16-10-8-6-4-5-7-9(8)14-11(13)15-10/h4-7H,1-3H3,(H2,13,14,15)
InChIKeyMTTRPRJOOJICHF-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.10
Rot. Bonds1

About 4-tert-butylsulfanylquinazolin-2-amine

4-tert-butylsulfanylquinazolin-2-amine (PubChem CID 80887043) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 4-tert-butylsulfanylquinazolin-2-amine.

Molecular Properties

Compound Name4-tert-butylsulfanylquinazolin-2-amine
PubChem CID80887043
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name4-tert-butylsulfanylquinazolin-2-amine
SMILESCC(C)(C)Sc1nc(N)nc2ccccc12
InChIInChI=1S/C12H15N3S/c1-12(2,3)16-10-8-6-4-5-7-9(8)14-11(13)15-10/h4-7H,1-3H3,(H2,13,14,15)
InChIKeyMTTRPRJOOJICHF-UHFFFAOYSA-N
XLogP3.10
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylquinazolin-2-amine
CID 80887124
4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]quinazolin-2-amine
CID 102927043
4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinazolin-2-amine
CID 80891680
4-cyclohexylsulfanylquinazolin-2-amine
CID 80886122
4-pyrazin-2-ylsulfanylquinazolin-2-amine
CID 80889192
4-[(5-chloro-2-pyridinyl)sulfanyl]quinazolin-2-amine
CID 80890982
4-(1,3-thiazol-2-ylsulfanyl)quinazolin-2-amine
CID 80885673
hydrazine;platinum;quinazoline-2,4-diamine
CID 175421188
4-N-(2-methylpropyl)quinazoline-2,4-diamine
CID 80770158
4-ethylquinazolin-2-amine
CID 10352174
4-(1,1,1-trifluoropropan-2-yloxy)quinazolin-2-amine
CID 80878281
4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)quinazolin-2-amine
CID 102723646

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylsulfanylquinazolin-2-amine?
The IUPAC name of 4-tert-butylsulfanylquinazolin-2-amine (CID 80887043) is 4-tert-butylsulfanylquinazolin-2-amine.
What is the SMILES notation for 4-tert-butylsulfanylquinazolin-2-amine?
The canonical SMILES for 4-tert-butylsulfanylquinazolin-2-amine is CC(C)(C)Sc1nc(N)nc2ccccc12.
What is the InChIKey of 4-tert-butylsulfanylquinazolin-2-amine?
The InChIKey is MTTRPRJOOJICHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-12(2,3)16-10-8-6-4-5-7-9(8)14-11(13)15-10/h4-7H,1-3H3,(H2,13,14,15).
What are the key properties of 4-tert-butylsulfanylquinazolin-2-amine?
4-tert-butylsulfanylquinazolin-2-amine has a molecular weight of 233.34 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylsulfanylquinazolin-2-amine is sourced from PubChem (CID 80887043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).