6-[(3-chloro-2-pyridinyl)sulfanyl]-2-(5-methylpyrazin-2-yl)quinazolin-4-amine

C18H13ClN6S — CID 23160290

IUPAC6-[(3-chloro-2-pyridinyl)sulfanyl]-2-(5-methylpyrazin-2-yl)quinazolin-4-amine
SMILESCc1cnc(-c2nc(N)c3cc(Sc4ncccc4Cl)ccc3n2)cn1
InChIInChI=1S/C18H13ClN6S/c1-10-8-23-15(9-22-10)17-24-14-5-4-11(7-12(14)16(20)25-17)26-18-13(19)3-2-6-21-18/h2-9H,1H3,(H2,20,24,25)
InChIKeyRNFCDIHBIORYEP-UHFFFAOYSA-N
MW380.86 g/mol
LogP4.18
Rot. Bonds3

About 6-[(3-chloro-2-pyridinyl)sulfanyl]-2-(5-methylpyrazin-2-yl)quinazolin-4-amine

6-[(3-chloro-2-pyridinyl)sulfanyl]-2-(5-methylpyrazin-2-yl)quinazolin-4-amine (PubChem CID 23160290) has the molecular formula C18H13ClN6S and a molecular weight of 380.86 g/mol. Its IUPAC name is 6-[(3-chloro-2-pyridinyl)sulfanyl]-2-(5-methylpyrazin-2-yl)quinazolin-4-amine.

Molecular Properties

Compound Name6-[(3-chloro-2-pyridinyl)sulfanyl]-2-(5-methylpyrazin-2-yl)quinazolin-4-amine
PubChem CID23160290
Molecular FormulaC18H13ClN6S
Molecular Weight380.86 g/mol
Exact Mass380.06
IUPAC Name6-[(3-chloro-2-pyridinyl)sulfanyl]-2-(5-methylpyrazin-2-yl)quinazolin-4-amine
SMILESCc1cnc(-c2nc(N)c3cc(Sc4ncccc4Cl)ccc3n2)cn1
InChIInChI=1S/C18H13ClN6S/c1-10-8-23-15(9-22-10)17-24-14-5-4-11(7-12(14)16(20)25-17)26-18-13(19)3-2-6-21-18/h2-9H,1H3,(H2,20,24,25)
InChIKeyRNFCDIHBIORYEP-UHFFFAOYSA-N
XLogP4.18
TPSA90.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.86
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-chloro-2-pyridinyl)sulfanyl]-2-(5-methylpyrazin-2-yl)quinazolin-4-amine?
The IUPAC name of 6-[(3-chloro-2-pyridinyl)sulfanyl]-2-(5-methylpyrazin-2-yl)quinazolin-4-amine (CID 23160290) is 6-[(3-chloro-2-pyridinyl)sulfanyl]-2-(5-methylpyrazin-2-yl)quinazolin-4-amine.
What is the SMILES notation for 6-[(3-chloro-2-pyridinyl)sulfanyl]-2-(5-methylpyrazin-2-yl)quinazolin-4-amine?
The canonical SMILES for 6-[(3-chloro-2-pyridinyl)sulfanyl]-2-(5-methylpyrazin-2-yl)quinazolin-4-amine is Cc1cnc(-c2nc(N)c3cc(Sc4ncccc4Cl)ccc3n2)cn1.
What is the InChIKey of 6-[(3-chloro-2-pyridinyl)sulfanyl]-2-(5-methylpyrazin-2-yl)quinazolin-4-amine?
The InChIKey is RNFCDIHBIORYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN6S/c1-10-8-23-15(9-22-10)17-24-14-5-4-11(7-12(14)16(20)25-17)26-18-13(19)3-2-6-21-18/h2-9H,1H3,(H2,20,24,25).
What are the key properties of 6-[(3-chloro-2-pyridinyl)sulfanyl]-2-(5-methylpyrazin-2-yl)quinazolin-4-amine?
6-[(3-chloro-2-pyridinyl)sulfanyl]-2-(5-methylpyrazin-2-yl)quinazolin-4-amine has a molecular weight of 380.86 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chloro-2-pyridinyl)sulfanyl]-2-(5-methylpyrazin-2-yl)quinazolin-4-amine is sourced from PubChem (CID 23160290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).