6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylhexan-2-amine

C14H25N3S — CID 64634490

IUPAC6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylhexan-2-amine
SMILESCCNC(C)CCCCSc1nc(C)cc(C)n1
InChIInChI=1S/C14H25N3S/c1-5-15-11(2)8-6-7-9-18-14-16-12(3)10-13(4)17-14/h10-11,15H,5-9H2,1-4H3
InChIKeyAAIQVOHNCFJMHX-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.35
Rot. Bonds8

About 6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylhexan-2-amine

6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylhexan-2-amine (PubChem CID 64634490) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylhexan-2-amine.

Molecular Properties

Compound Name6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylhexan-2-amine
PubChem CID64634490
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylhexan-2-amine
SMILESCCNC(C)CCCCSc1nc(C)cc(C)n1
InChIInChI=1S/C14H25N3S/c1-5-15-11(2)8-6-7-9-18-14-16-12(3)10-13(4)17-14/h10-11,15H,5-9H2,1-4H3
InChIKeyAAIQVOHNCFJMHX-UHFFFAOYSA-N
XLogP3.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(4,6-dimethylpyrimidin-2-yl)sulfanylhexan-2-amine
CID 64633700
N-ethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]hexan-2-amine
CID 64626528
N-propyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylhexan-2-amine
CID 65041314
N-ethyl-5-(4-methylphenyl)sulfanylpentan-2-amine
CID 64621818
6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-ethylhexan-2-amine
CID 115479339
N-ethyl-6-(1-methylpyrazol-4-yl)sulfanylhexan-2-amine
CID 64627801
5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-propylpentan-2-amine
CID 102926475
1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-N-ethylethanamine
CID 62304633
4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylbutan-2-amine
CID 64626816
N-ethyl-5-(3-methylphenyl)sulfanylpentan-2-amine
CID 64628101
N-ethyl-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]hexan-2-amine
CID 64647947
N-ethyl-5-(1,3-thiazol-2-ylsulfanyl)pentan-2-amine
CID 64626311

Frequently Asked Questions

What is the IUPAC name of 6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylhexan-2-amine?
The IUPAC name of 6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylhexan-2-amine (CID 64634490) is 6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylhexan-2-amine.
What is the SMILES notation for 6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylhexan-2-amine?
The canonical SMILES for 6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylhexan-2-amine is CCNC(C)CCCCSc1nc(C)cc(C)n1.
What is the InChIKey of 6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylhexan-2-amine?
The InChIKey is AAIQVOHNCFJMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-5-15-11(2)8-6-7-9-18-14-16-12(3)10-13(4)17-14/h10-11,15H,5-9H2,1-4H3.
What are the key properties of 6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylhexan-2-amine?
6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylhexan-2-amine has a molecular weight of 267.44 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylhexan-2-amine is sourced from PubChem (CID 64634490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).