N-[(3-methoxypyrazin-2-yl)-pyrimidin-5-ylmethyl]propan-1-amine

C13H17N5O — CID 102923780

IUPACN-[(3-methoxypyrazin-2-yl)-pyrimidin-5-ylmethyl]propan-1-amine
SMILESCCCNC(c1cncnc1)c1nccnc1OC
InChIInChI=1S/C13H17N5O/c1-3-4-16-11(10-7-14-9-15-8-10)12-13(19-2)18-6-5-17-12/h5-9,11,16H,3-4H2,1-2H3
InChIKeyOGHWODNNNXOFBP-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.36
Rot. Bonds6

About N-[(3-methoxypyrazin-2-yl)-pyrimidin-5-ylmethyl]propan-1-amine

N-[(3-methoxypyrazin-2-yl)-pyrimidin-5-ylmethyl]propan-1-amine (PubChem CID 102923780) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[(3-methoxypyrazin-2-yl)-pyrimidin-5-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-methoxypyrazin-2-yl)-pyrimidin-5-ylmethyl]propan-1-amine
PubChem CID102923780
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN-[(3-methoxypyrazin-2-yl)-pyrimidin-5-ylmethyl]propan-1-amine
SMILESCCCNC(c1cncnc1)c1nccnc1OC
InChIInChI=1S/C13H17N5O/c1-3-4-16-11(10-7-14-9-15-8-10)12-13(19-2)18-6-5-17-12/h5-9,11,16H,3-4H2,1-2H3
InChIKeyOGHWODNNNXOFBP-UHFFFAOYSA-N
XLogP1.36
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,4-dimethylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105032115
N-[(3-ethyl-4-pyridinyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 104516047
N-[(3-chloro-5-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105031892
N-[(3-methoxypyrazin-2-yl)-(thiadiazol-5-yl)methyl]propan-1-amine
CID 105178702
N-[pyridin-4-yl(pyrimidin-5-yl)methyl]propan-1-amine
CID 62491202
N-[(1,5-dimethylpyrazol-4-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105178595
N-[(3-methoxypyrazin-2-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 105031971
N-[(3-ethyl-1-methylpyrazol-4-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 102812782
N-[(4,5-dimethylthiophen-2-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105031771
N-[(3-ethylthiophen-2-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105032074
N-[2,2,2-trifluoro-1-(3-methoxypyrazin-2-yl)ethyl]propan-1-amine
CID 105032098
1-(3-methoxypyrazin-2-yl)-N-propylpentan-1-amine
CID 113421622

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxypyrazin-2-yl)-pyrimidin-5-ylmethyl]propan-1-amine?
The IUPAC name of N-[(3-methoxypyrazin-2-yl)-pyrimidin-5-ylmethyl]propan-1-amine (CID 102923780) is N-[(3-methoxypyrazin-2-yl)-pyrimidin-5-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(3-methoxypyrazin-2-yl)-pyrimidin-5-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(3-methoxypyrazin-2-yl)-pyrimidin-5-ylmethyl]propan-1-amine is CCCNC(c1cncnc1)c1nccnc1OC.
What is the InChIKey of N-[(3-methoxypyrazin-2-yl)-pyrimidin-5-ylmethyl]propan-1-amine?
The InChIKey is OGHWODNNNXOFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-3-4-16-11(10-7-14-9-15-8-10)12-13(19-2)18-6-5-17-12/h5-9,11,16H,3-4H2,1-2H3.
What are the key properties of N-[(3-methoxypyrazin-2-yl)-pyrimidin-5-ylmethyl]propan-1-amine?
N-[(3-methoxypyrazin-2-yl)-pyrimidin-5-ylmethyl]propan-1-amine has a molecular weight of 259.31 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxypyrazin-2-yl)-pyrimidin-5-ylmethyl]propan-1-amine is sourced from PubChem (CID 102923780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).