N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine

C17H23N5OS — CID 26336284

IUPACN-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine
SMILESCCSc1ncc(CNCc2cccnc2N2CCOCC2)cn1
InChIInChI=1S/C17H23N5OS/c1-2-24-17-20-11-14(12-21-17)10-18-13-15-4-3-5-19-16(15)22-6-8-23-9-7-22/h3-5,11-12,18H,2,6-10,13H2,1H3
InChIKeyRIBBQXHHDSDONO-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.11
Rot. Bonds7

About N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine

N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine (PubChem CID 26336284) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine
PubChem CID26336284
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC NameN-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine
SMILESCCSc1ncc(CNCc2cccnc2N2CCOCC2)cn1
InChIInChI=1S/C17H23N5OS/c1-2-24-17-20-11-14(12-21-17)10-18-13-15-4-3-5-19-16(15)22-6-8-23-9-7-22/h3-5,11-12,18H,2,6-10,13H2,1H3
InChIKeyRIBBQXHHDSDONO-UHFFFAOYSA-N
XLogP2.11
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine with MolForge

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Related Compounds

1-[2-(azocan-1-yl)-3-pyridinyl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]methanamine
CID 26397264
N-[(3,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine
CID 38051168
N-methyl-5-[[(2-morpholin-4-yl-3-pyridinyl)methylamino]methyl]-N-propan-2-ylpyridin-2-amine
CID 119047892
1-(3-bromophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]methanamine
CID 55684100
2-methoxy-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]ethanamine
CID 114056606
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine
CID 38051144
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 28766485
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(oxolan-3-yl)methanamine
CID 45198325
2-methyl-N-[[2-(1,4-oxazepan-4-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62974256
(1S)-1-(5-ethylfuran-2-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]ethanamine
CID 97229911
N-[(2,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine
CID 38051072
1-ethyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 47226420

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine?
The IUPAC name of N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine (CID 26336284) is N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine.
What is the SMILES notation for N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine?
The canonical SMILES for N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine is CCSc1ncc(CNCc2cccnc2N2CCOCC2)cn1.
What is the InChIKey of N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine?
The InChIKey is RIBBQXHHDSDONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-2-24-17-20-11-14(12-21-17)10-18-13-15-4-3-5-19-16(15)22-6-8-23-9-7-22/h3-5,11-12,18H,2,6-10,13H2,1H3.
What are the key properties of N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine?
N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine has a molecular weight of 345.47 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine is sourced from PubChem (CID 26336284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).