N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-pyridin-2-yloxypropan-1-amine

C14H18N4OS — CID 102536033

IUPACN-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-pyridin-2-yloxypropan-1-amine
SMILESCSc1ncc(CNCCCOc2ccccn2)cn1
InChIInChI=1S/C14H18N4OS/c1-20-14-17-10-12(11-18-14)9-15-6-4-8-19-13-5-2-3-7-16-13/h2-3,5,7,10-11,15H,4,6,8-9H2,1H3
InChIKeyVJKKWTBEAZSOGX-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.15
Rot. Bonds8

About N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-pyridin-2-yloxypropan-1-amine

N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-pyridin-2-yloxypropan-1-amine (PubChem CID 102536033) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-pyridin-2-yloxypropan-1-amine.

Molecular Properties

Compound NameN-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-pyridin-2-yloxypropan-1-amine
PubChem CID102536033
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-pyridin-2-yloxypropan-1-amine
SMILESCSc1ncc(CNCCCOc2ccccn2)cn1
InChIInChI=1S/C14H18N4OS/c1-20-14-17-10-12(11-18-14)9-15-6-4-8-19-13-5-2-3-7-16-13/h2-3,5,7,10-11,15H,4,6,8-9H2,1H3
InChIKeyVJKKWTBEAZSOGX-UHFFFAOYSA-N
XLogP2.15
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-5-[(3-pyridin-2-yloxypropylamino)methyl]pyrimidin-2-amine
CID 102536227
3-methoxy-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]propan-1-amine
CID 102536022
3-pyridin-2-yloxy-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine
CID 66526320
3-butoxy-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]propan-1-amine
CID 102536018
N-[(3,4-dichlorophenyl)methyl]-3-pyridin-2-yloxypropan-1-amine
CID 51051733
N-(2-pyridin-2-yloxyethyl)butan-1-amine
CID 119027538
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526310
N-benzyl-3-[(6-ethoxy-2-pyridinyl)oxy]propan-1-amine
CID 114783211
N-(2-pyridin-2-yloxyethyl)propan-1-amine
CID 62348524
N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526438
N-[(3-ethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride
CID 132893630
N-[(2-chlorophenyl)methyl]-2-pyridin-2-yloxyethanamine
CID 51370500

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-pyridin-2-yloxypropan-1-amine?
The IUPAC name of N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-pyridin-2-yloxypropan-1-amine (CID 102536033) is N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-pyridin-2-yloxypropan-1-amine.
What is the SMILES notation for N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-pyridin-2-yloxypropan-1-amine?
The canonical SMILES for N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-pyridin-2-yloxypropan-1-amine is CSc1ncc(CNCCCOc2ccccn2)cn1.
What is the InChIKey of N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-pyridin-2-yloxypropan-1-amine?
The InChIKey is VJKKWTBEAZSOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-20-14-17-10-12(11-18-14)9-15-6-4-8-19-13-5-2-3-7-16-13/h2-3,5,7,10-11,15H,4,6,8-9H2,1H3.
What are the key properties of N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-pyridin-2-yloxypropan-1-amine?
N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-pyridin-2-yloxypropan-1-amine has a molecular weight of 290.39 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-pyridin-2-yloxypropan-1-amine is sourced from PubChem (CID 102536033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).