N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl(pyrimidin-5-yl)methyl]propan-1-amine

C15H19N3S2 — CID 115827429

IUPACN-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl(pyrimidin-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1cncnc1)c1cc2c(s1)CCSC2
InChIInChI=1S/C15H19N3S2/c1-2-4-18-15(12-7-16-10-17-8-12)14-6-11-9-19-5-3-13(11)20-14/h6-8,10,15,18H,2-5,9H2,1H3
InChIKeyNYDDSVROOZWZFX-UHFFFAOYSA-N
MW305.47 g/mol
LogP3.42
Rot. Bonds5

About N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl(pyrimidin-5-yl)methyl]propan-1-amine

N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl(pyrimidin-5-yl)methyl]propan-1-amine (PubChem CID 115827429) has the molecular formula C15H19N3S2 and a molecular weight of 305.47 g/mol. Its IUPAC name is N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl(pyrimidin-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl(pyrimidin-5-yl)methyl]propan-1-amine
PubChem CID115827429
Molecular FormulaC15H19N3S2
Molecular Weight305.47 g/mol
Exact Mass305.10
IUPAC NameN-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl(pyrimidin-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1cncnc1)c1cc2c(s1)CCSC2
InChIInChI=1S/C15H19N3S2/c1-2-4-18-15(12-7-16-10-17-8-12)14-6-11-9-19-5-3-13(11)20-14/h6-8,10,15,18H,2-5,9H2,1H3
InChIKeyNYDDSVROOZWZFX-UHFFFAOYSA-N
XLogP3.42
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 104991457
N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 105023233
N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 81266374
N-[2,3-dihydrofuran-5-yl(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]propan-1-amine
CID 102653289
N-[1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 105034645
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-propylbut-3-en-1-amine
CID 115814726
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 104992831
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105024149
N-[(1-methylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]propan-1-amine
CID 43497220
N-[(2,5-dibromothiophen-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]ethanamine
CID 81260634
N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115854665
N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 115852042

Frequently Asked Questions

What is the IUPAC name of N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl(pyrimidin-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl(pyrimidin-5-yl)methyl]propan-1-amine (CID 115827429) is N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl(pyrimidin-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl(pyrimidin-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl(pyrimidin-5-yl)methyl]propan-1-amine is CCCNC(c1cncnc1)c1cc2c(s1)CCSC2.
What is the InChIKey of N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl(pyrimidin-5-yl)methyl]propan-1-amine?
The InChIKey is NYDDSVROOZWZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S2/c1-2-4-18-15(12-7-16-10-17-8-12)14-6-11-9-19-5-3-13(11)20-14/h6-8,10,15,18H,2-5,9H2,1H3.
What are the key properties of N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl(pyrimidin-5-yl)methyl]propan-1-amine?
N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl(pyrimidin-5-yl)methyl]propan-1-amine has a molecular weight of 305.47 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl(pyrimidin-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 115827429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).