2-N,4-N-dimethyl-4-N-(thiolan-3-yl)quinazoline-2,4-diamine

C14H18N4S — CID 80784259

IUPAC2-N,4-N-dimethyl-4-N-(thiolan-3-yl)quinazoline-2,4-diamine
SMILESCNc1nc(N(C)C2CCSC2)c2ccccc2n1
InChIInChI=1S/C14H18N4S/c1-15-14-16-12-6-4-3-5-11(12)13(17-14)18(2)10-7-8-19-9-10/h3-6,10H,7-9H2,1-2H3,(H,15,16,17)
InChIKeyMKAFOGSDSWIYCB-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.61
Rot. Bonds3

About 2-N,4-N-dimethyl-4-N-(thiolan-3-yl)quinazoline-2,4-diamine

2-N,4-N-dimethyl-4-N-(thiolan-3-yl)quinazoline-2,4-diamine (PubChem CID 80784259) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-N,4-N-dimethyl-4-N-(thiolan-3-yl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dimethyl-4-N-(thiolan-3-yl)quinazoline-2,4-diamine
PubChem CID80784259
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC Name2-N,4-N-dimethyl-4-N-(thiolan-3-yl)quinazoline-2,4-diamine
SMILESCNc1nc(N(C)C2CCSC2)c2ccccc2n1
InChIInChI=1S/C14H18N4S/c1-15-14-16-12-6-4-3-5-11(12)13(17-14)18(2)10-7-8-19-9-10/h3-6,10H,7-9H2,1-2H3,(H,15,16,17)
InChIKeyMKAFOGSDSWIYCB-UHFFFAOYSA-N
XLogP2.61
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dimethyl-4-N-(thiolan-3-yl)quinazoline-2,4-diamine?
The IUPAC name of 2-N,4-N-dimethyl-4-N-(thiolan-3-yl)quinazoline-2,4-diamine (CID 80784259) is 2-N,4-N-dimethyl-4-N-(thiolan-3-yl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dimethyl-4-N-(thiolan-3-yl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N,4-N-dimethyl-4-N-(thiolan-3-yl)quinazoline-2,4-diamine is CNc1nc(N(C)C2CCSC2)c2ccccc2n1.
What is the InChIKey of 2-N,4-N-dimethyl-4-N-(thiolan-3-yl)quinazoline-2,4-diamine?
The InChIKey is MKAFOGSDSWIYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c1-15-14-16-12-6-4-3-5-11(12)13(17-14)18(2)10-7-8-19-9-10/h3-6,10H,7-9H2,1-2H3,(H,15,16,17).
What are the key properties of 2-N,4-N-dimethyl-4-N-(thiolan-3-yl)quinazoline-2,4-diamine?
2-N,4-N-dimethyl-4-N-(thiolan-3-yl)quinazoline-2,4-diamine has a molecular weight of 274.39 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dimethyl-4-N-(thiolan-3-yl)quinazoline-2,4-diamine is sourced from PubChem (CID 80784259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).