(1R)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-pyridin-3-ylethanamine

C14H18N4S — CID 95119543

IUPAC(1R)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-pyridin-3-ylethanamine
SMILESCSc1ncc(CN(C)[C@H](C)c2cccnc2)cn1
InChIInChI=1S/C14H18N4S/c1-11(13-5-4-6-15-9-13)18(2)10-12-7-16-14(19-3)17-8-12/h4-9,11H,10H2,1-3H3/t11-/m1/s1
InChIKeyRHUGKVGIJUOJKA-LLVKDONJSA-N
MW274.39 g/mol
LogP2.79
Rot. Bonds5

About (1R)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-pyridin-3-ylethanamine

(1R)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-pyridin-3-ylethanamine (PubChem CID 95119543) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is (1R)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-pyridin-3-ylethanamine.

Molecular Properties

Compound Name(1R)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-pyridin-3-ylethanamine
PubChem CID95119543
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC Name(1R)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-pyridin-3-ylethanamine
SMILESCSc1ncc(CN(C)[C@H](C)c2cccnc2)cn1
InChIInChI=1S/C14H18N4S/c1-11(13-5-4-6-15-9-13)18(2)10-12-7-16-14(19-3)17-8-12/h4-9,11H,10H2,1-3H3/t11-/m1/s1
InChIKeyRHUGKVGIJUOJKA-LLVKDONJSA-N
XLogP2.79
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(furan-2-yl)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]ethanamine
CID 73440653
N-methyl-N-(1-pyridin-3-ylethyl)propan-1-amine
CID 143947974
N-[(3-chloro-4-pyridinyl)methyl]-N-methyl-1-pyridin-3-ylethanamine
CID 77080069
(1R)-N-[(3-chloro-4-pyridinyl)methyl]-N-methyl-1-pyridin-3-ylethanamine
CID 99820131
3-methyl-6-[[methyl(1-pyridin-3-ylethyl)amino]methyl]-1,3-benzothiazol-2-one
CID 91653501
(1R)-N-[(2,3-dimethylimidazol-4-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine
CID 99948670
2-[3-[[methyl(1-pyridin-3-ylethyl)amino]methyl]phenoxy]acetamide
CID 77081738
N-methyl-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 43563998
N-[(4-fluorophenyl)methyl]-N-methyl-1-pyridin-3-ylethane-1,2-diamine
CID 61413578
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine
CID 56760298
N-methyl-N-(1-methylsulfanylpropan-2-yl)-1-pyridin-3-ylethane-1,2-diamine
CID 112657642
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine
CID 71908460

Frequently Asked Questions

What is the IUPAC name of (1R)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-pyridin-3-ylethanamine?
The IUPAC name of (1R)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-pyridin-3-ylethanamine (CID 95119543) is (1R)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-pyridin-3-ylethanamine.
What is the SMILES notation for (1R)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-pyridin-3-ylethanamine?
The canonical SMILES for (1R)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-pyridin-3-ylethanamine is CSc1ncc(CN(C)[C@H](C)c2cccnc2)cn1.
What is the InChIKey of (1R)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-pyridin-3-ylethanamine?
The InChIKey is RHUGKVGIJUOJKA-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18N4S/c1-11(13-5-4-6-15-9-13)18(2)10-12-7-16-14(19-3)17-8-12/h4-9,11H,10H2,1-3H3/t11-/m1/s1.
What are the key properties of (1R)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-pyridin-3-ylethanamine?
(1R)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-pyridin-3-ylethanamine has a molecular weight of 274.39 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-pyridin-3-ylethanamine is sourced from PubChem (CID 95119543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).