2-(1,4-dithian-2-yl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

C12H17N3OS2 — CID 106472091

IUPAC2-(1,4-dithian-2-yl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCNc1nc(C2CSCCS2)nc2c1COCC2
InChIInChI=1S/C12H17N3OS2/c1-13-11-8-6-16-3-2-9(8)14-12(15-11)10-7-17-4-5-18-10/h10H,2-7H2,1H3,(H,13,14,15)
InChIKeyRJWOLSVKCDOUDM-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.11
Rot. Bonds2

About 2-(1,4-dithian-2-yl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

2-(1,4-dithian-2-yl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (PubChem CID 106472091) has the molecular formula C12H17N3OS2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-(1,4-dithian-2-yl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(1,4-dithian-2-yl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
PubChem CID106472091
Molecular FormulaC12H17N3OS2
Molecular Weight283.42 g/mol
Exact Mass283.08
IUPAC Name2-(1,4-dithian-2-yl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCNc1nc(C2CSCCS2)nc2c1COCC2
InChIInChI=1S/C12H17N3OS2/c1-13-11-8-6-16-3-2-9(8)14-12(15-11)10-7-17-4-5-18-10/h10H,2-7H2,1H3,(H,13,14,15)
InChIKeyRJWOLSVKCDOUDM-UHFFFAOYSA-N
XLogP2.11
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1,4-dithian-2-yl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-methyl-2-(oxan-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472179
N-methyl-2-(4-propan-2-ylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472261
N-methyl-2-(thiolan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 80638067
2-tert-butyl-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472086
N-methyl-2-(4-methylmorpholin-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472117
[2-(1,4-dithian-2-yl)-5,6-dimethylpyrimidin-4-yl]hydrazine
CID 79965885
2-(4-methylthiomorpholin-3-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472557
2-(5,6-dimethyl-1,4-dithian-2-yl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 103346619
2-(1,4-dithian-2-yl)-6-ethyl-N-methylpyrimidin-4-amine
CID 79966167
N-methyl-2-(3-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472271
2-(2,6-dichlorophenyl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472809
N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472169

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dithian-2-yl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(1,4-dithian-2-yl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (CID 106472091) is 2-(1,4-dithian-2-yl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(1,4-dithian-2-yl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(1,4-dithian-2-yl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is CNc1nc(C2CSCCS2)nc2c1COCC2.
What is the InChIKey of 2-(1,4-dithian-2-yl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The InChIKey is RJWOLSVKCDOUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS2/c1-13-11-8-6-16-3-2-9(8)14-12(15-11)10-7-17-4-5-18-10/h10H,2-7H2,1H3,(H,13,14,15).
What are the key properties of 2-(1,4-dithian-2-yl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
2-(1,4-dithian-2-yl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine has a molecular weight of 283.42 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dithian-2-yl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106472091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).