N-pyrimidin-5-yl-5,6-dihydro-4H-1,3-thiazin-2-amine

C8H10N4S — CID 107589103

IUPACN-pyrimidin-5-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESc1ncc(NC2=NCCCS2)cn1
InChIInChI=1S/C8H10N4S/c1-2-11-8(13-3-1)12-7-4-9-6-10-5-7/h4-6H,1-3H2,(H,11,12)
InChIKeyBEJDKAMOJIXYET-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.38
Rot. Bonds1

About N-pyrimidin-5-yl-5,6-dihydro-4H-1,3-thiazin-2-amine

N-pyrimidin-5-yl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 107589103) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is N-pyrimidin-5-yl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-pyrimidin-5-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID107589103
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC NameN-pyrimidin-5-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESc1ncc(NC2=NCCCS2)cn1
InChIInChI=1S/C8H10N4S/c1-2-11-8(13-3-1)12-7-4-9-6-10-5-7/h4-6H,1-3H2,(H,11,12)
InChIKeyBEJDKAMOJIXYET-UHFFFAOYSA-N
XLogP1.38
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-5-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-pyrimidin-5-yl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 107589103) is N-pyrimidin-5-yl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-pyrimidin-5-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-pyrimidin-5-yl-5,6-dihydro-4H-1,3-thiazin-2-amine is c1ncc(NC2=NCCCS2)cn1.
What is the InChIKey of N-pyrimidin-5-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is BEJDKAMOJIXYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S/c1-2-11-8(13-3-1)12-7-4-9-6-10-5-7/h4-6H,1-3H2,(H,11,12).
What are the key properties of N-pyrimidin-5-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-pyrimidin-5-yl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 194.26 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-5-yl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 107589103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).