2-chloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine

C7H8ClN3S — CID 105454023

IUPAC2-chloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine
SMILESNc1nc(Cl)nc2c1CSCC2
InChIInChI=1S/C7H8ClN3S/c8-7-10-5-1-2-12-3-4(5)6(9)11-7/h1-3H2,(H2,9,10,11)
InChIKeyWTJKVEYWXMAVFY-UHFFFAOYSA-N
MW201.68 g/mol
LogP1.50
Rot. Bonds

About 2-chloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine

2-chloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine (PubChem CID 105454023) has the molecular formula C7H8ClN3S and a molecular weight of 201.68 g/mol. Its IUPAC name is 2-chloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine
PubChem CID105454023
Molecular FormulaC7H8ClN3S
Molecular Weight201.68 g/mol
Exact Mass201.01
IUPAC Name2-chloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine
SMILESNc1nc(Cl)nc2c1CSCC2
InChIInChI=1S/C7H8ClN3S/c8-7-10-5-1-2-12-3-4(5)6(9)11-7/h1-3H2,(H2,9,10,11)
InChIKeyWTJKVEYWXMAVFY-UHFFFAOYSA-N
XLogP1.50
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.68
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-amino-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)ethanone
CID 105463163
2-[1-(methylamino)ethyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine
CID 105482388
2-[2-(methylamino)ethyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine
CID 105482386
2-methyl-5,6,8,9-tetrahydrothiepino[4,5-d]pyrimidin-4-amine
CID 83871652
7-methyl-3,4-dihydro-1H-thiopyrano[4,3-b]quinolin-10-amine
CID 14580246
2-chloro-N-(pyridin-3-ylmethyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine
CID 54020672
7,10-dichloro-3,4-dihydro-1H-thiopyrano[4,3-b]quinoline
CID 14537090
1-(2-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-yl)ethanamine
CID 83848743
2-ethyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-amine
CID 105440802
1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-amine
CID 82416295
2-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190972
2-[(4-chlorophenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191581

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine (CID 105454023) is 2-chloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine is Nc1nc(Cl)nc2c1CSCC2.
What is the InChIKey of 2-chloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine?
The InChIKey is WTJKVEYWXMAVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3S/c8-7-10-5-1-2-12-3-4(5)6(9)11-7/h1-3H2,(H2,9,10,11).
What are the key properties of 2-chloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine?
2-chloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine has a molecular weight of 201.68 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 105454023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).