1-[2-(azocan-1-yl)-3-pyridinyl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]methanamine

C19H27N5S — CID 26397264

IUPAC1-[2-(azocan-1-yl)-3-pyridinyl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]methanamine
SMILESCSc1ncc(CNCc2cccnc2N2CCCCCCC2)cn1
InChIInChI=1S/C19H27N5S/c1-25-19-22-13-16(14-23-19)12-20-15-17-8-7-9-21-18(17)24-10-5-3-2-4-6-11-24/h7-9,13-14,20H,2-6,10-12,15H2,1H3
InChIKeyPHBYEKIZHWCKQC-UHFFFAOYSA-N
MW357.53 g/mol
LogP3.65
Rot. Bonds6

About 1-[2-(azocan-1-yl)-3-pyridinyl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]methanamine

1-[2-(azocan-1-yl)-3-pyridinyl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]methanamine (PubChem CID 26397264) has the molecular formula C19H27N5S and a molecular weight of 357.53 g/mol. Its IUPAC name is 1-[2-(azocan-1-yl)-3-pyridinyl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[2-(azocan-1-yl)-3-pyridinyl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]methanamine
PubChem CID26397264
Molecular FormulaC19H27N5S
Molecular Weight357.53 g/mol
Exact Mass357.20
IUPAC Name1-[2-(azocan-1-yl)-3-pyridinyl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]methanamine
SMILESCSc1ncc(CNCc2cccnc2N2CCCCCCC2)cn1
InChIInChI=1S/C19H27N5S/c1-25-19-22-13-16(14-23-19)12-20-15-17-8-7-9-21-18(17)24-10-5-3-2-4-6-11-24/h7-9,13-14,20H,2-6,10-12,15H2,1H3
InChIKeyPHBYEKIZHWCKQC-UHFFFAOYSA-N
XLogP3.65
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.53
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-(azocan-1-yl)-3-pyridinyl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]methanamine with MolForge

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Related Compounds

N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine
CID 26336284
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-1-yl-3-pyridinyl)methanamine
CID 56820207
1-[4-[[[2-(azocan-1-yl)-3-pyridinyl]methylamino]methyl]thiophen-2-yl]ethanone
CID 42195517
2-methyl-N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62278791
N-[[2-(1,4-thiazepan-4-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62287310
[4-(azepan-1-yl)-2-methylsulfanylpyrimidin-5-yl]methanol
CID 28905065
N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62286453
2-methyl-N-[[2-(1,4-oxazepan-4-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62974256
N-[[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridinyl]methyl]ethanamine
CID 63152821
N-methyl-5-[[(2-morpholin-4-yl-3-pyridinyl)methylamino]methyl]-N-propan-2-ylpyridin-2-amine
CID 119047892
N-[(5-ethylfuran-2-yl)methyl]-1-[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methanamine
CID 26394420
N-[(3,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine
CID 38051168

Frequently Asked Questions

What is the IUPAC name of 1-[2-(azocan-1-yl)-3-pyridinyl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]methanamine?
The IUPAC name of 1-[2-(azocan-1-yl)-3-pyridinyl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]methanamine (CID 26397264) is 1-[2-(azocan-1-yl)-3-pyridinyl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]methanamine.
What is the SMILES notation for 1-[2-(azocan-1-yl)-3-pyridinyl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]methanamine?
The canonical SMILES for 1-[2-(azocan-1-yl)-3-pyridinyl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]methanamine is CSc1ncc(CNCc2cccnc2N2CCCCCCC2)cn1.
What is the InChIKey of 1-[2-(azocan-1-yl)-3-pyridinyl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]methanamine?
The InChIKey is PHBYEKIZHWCKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5S/c1-25-19-22-13-16(14-23-19)12-20-15-17-8-7-9-21-18(17)24-10-5-3-2-4-6-11-24/h7-9,13-14,20H,2-6,10-12,15H2,1H3.
What are the key properties of 1-[2-(azocan-1-yl)-3-pyridinyl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]methanamine?
1-[2-(azocan-1-yl)-3-pyridinyl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]methanamine has a molecular weight of 357.53 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azocan-1-yl)-3-pyridinyl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]methanamine is sourced from PubChem (CID 26397264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).