N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine

C13H19N5O2 — CID 103004860

IUPACN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
SMILESCOc1ncnc(OC)c1CNCCc1ccnn1C
InChIInChI=1S/C13H19N5O2/c1-18-10(5-7-17-18)4-6-14-8-11-12(19-2)15-9-16-13(11)20-3/h5,7,9,14H,4,6,8H2,1-3H3
InChIKeyMBQDNFPEHIUZOT-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.56
Rot. Bonds7

About N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine

N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine (PubChem CID 103004860) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
PubChem CID103004860
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC NameN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
SMILESCOc1ncnc(OC)c1CNCCc1ccnn1C
InChIInChI=1S/C13H19N5O2/c1-18-10(5-7-17-18)4-6-14-8-11-12(19-2)15-9-16-13(11)20-3/h5,7,9,14H,4,6,8H2,1-3H3
InChIKeyMBQDNFPEHIUZOT-UHFFFAOYSA-N
XLogP0.56
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694398
N-[(3-chloro-4-methoxyphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694574
5-methoxy-2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]phenol
CID 104694486
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 103006076
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694434
2-(2-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 19619324
2-(2-methylpyrazol-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 104694332
methyl 2-[2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]phenyl]acetate
CID 103005690
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694498
2-(2-methylpyrazol-3-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 103002048
2-(2-methylpyrazol-3-yl)-N-[(2,4,5-trifluorophenyl)methyl]ethanamine
CID 104694562
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104879651

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine?
The IUPAC name of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine (CID 103004860) is N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine is COc1ncnc(OC)c1CNCCc1ccnn1C.
What is the InChIKey of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine?
The InChIKey is MBQDNFPEHIUZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-18-10(5-7-17-18)4-6-14-8-11-12(19-2)15-9-16-13(11)20-3/h5,7,9,14H,4,6,8H2,1-3H3.
What are the key properties of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine?
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine has a molecular weight of 277.33 g/mol, XLogP of 0.56, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 103004860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).