N-[[2-(butan-2-ylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine

C14H25N3S — CID 65141247

IUPACN-[[2-(butan-2-ylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(C)nc(CSC(C)CC)n1
InChIInChI=1S/C14H25N3S/c1-5-7-15-9-13-8-11(3)16-14(17-13)10-18-12(4)6-2/h8,12,15H,5-7,9-10H2,1-4H3
InChIKeyYOUVXWSLGZUBCW-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.32
Rot. Bonds8

About N-[[2-(butan-2-ylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine

N-[[2-(butan-2-ylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine (PubChem CID 65141247) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-[[2-(butan-2-ylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(butan-2-ylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine
PubChem CID65141247
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-[[2-(butan-2-ylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(C)nc(CSC(C)CC)n1
InChIInChI=1S/C14H25N3S/c1-5-7-15-9-13-8-11(3)16-14(17-13)10-18-12(4)6-2/h8,12,15H,5-7,9-10H2,1-4H3
InChIKeyYOUVXWSLGZUBCW-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
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

3-[2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-N-propylpropan-1-amine
CID 65141095
N-[[2-[(2,6-dichlorophenyl)methyl]-6-methylpyrimidin-4-yl]methyl]propan-1-amine
CID 62746219
N-[[6-methyl-2-(propylsulfanylmethyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 65129070
N-[[6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 103476567
N-[(6-methyl-2-phenylpyrimidin-4-yl)methyl]propan-1-amine
CID 62745336
[2-(butan-2-ylsulfanylmethyl)-6-propylpyrimidin-4-yl]hydrazine
CID 65141294
N-[[2-(tert-butylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]-2-methoxyethanamine
CID 65138090
2-(butan-2-ylsulfanylmethyl)-N-propylpyrimidin-4-amine
CID 65141597
N-[[2-(3,4-dichlorophenyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine
CID 81492623
N-[(2-cyclobutyl-6-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 64986163
N-[[2-(3-ethyl-2-pyridinyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine
CID 82740701
N-[(2-cyclooctyl-6-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 80609922

Frequently Asked Questions

What is the IUPAC name of N-[[2-(butan-2-ylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(butan-2-ylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine (CID 65141247) is N-[[2-(butan-2-ylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(butan-2-ylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(butan-2-ylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine is CCCNCc1cc(C)nc(CSC(C)CC)n1.
What is the InChIKey of N-[[2-(butan-2-ylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine?
The InChIKey is YOUVXWSLGZUBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-5-7-15-9-13-8-11(3)16-14(17-13)10-18-12(4)6-2/h8,12,15H,5-7,9-10H2,1-4H3.
What are the key properties of N-[[2-(butan-2-ylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine?
N-[[2-(butan-2-ylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(butan-2-ylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 65141247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).