N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,6-dimethoxypyrimidin-2-amine

C13H19N5O2 — CID 115990421

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,6-dimethoxypyrimidin-2-amine
SMILESCCc1nn(C)cc1CNc1nc(OC)cc(OC)n1
InChIInChI=1S/C13H19N5O2/c1-5-10-9(8-18(2)17-10)7-14-13-15-11(19-3)6-12(16-13)20-4/h6,8H,5,7H2,1-4H3,(H,14,15,16)
InChIKeyZEUIVSQLOUBZTA-UHFFFAOYSA-N
MW277.33 g/mol
LogP1.40
Rot. Bonds6

About N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,6-dimethoxypyrimidin-2-amine

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,6-dimethoxypyrimidin-2-amine (PubChem CID 115990421) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,6-dimethoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,6-dimethoxypyrimidin-2-amine
PubChem CID115990421
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,6-dimethoxypyrimidin-2-amine
SMILESCCc1nn(C)cc1CNc1nc(OC)cc(OC)n1
InChIInChI=1S/C13H19N5O2/c1-5-10-9(8-18(2)17-10)7-14-13-15-11(19-3)6-12(16-13)20-4/h6,8H,5,7H2,1-4H3,(H,14,15,16)
InChIKeyZEUIVSQLOUBZTA-UHFFFAOYSA-N
XLogP1.40
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,6-dimethoxypyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,4-dimethoxyaniline
CID 115885486
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,5-dimethylaniline
CID 112549337
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-fluoro-3-methoxyaniline
CID 114838534
6-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpyrimidin-4-amine
CID 112549981
3-ethoxy-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxyaniline
CID 115885541
2,4,6-tribromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]aniline
CID 112668796
3-bromo-5-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methoxyaniline
CID 115885823
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylpentan-3-amine
CID 115885710
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(methoxymethyl)aniline
CID 112549349
6-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpyridin-3-amine
CID 104599955
3-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-fluoroaniline
CID 103894043
4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenol
CID 112668893

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,6-dimethoxypyrimidin-2-amine?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,6-dimethoxypyrimidin-2-amine (CID 115990421) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,6-dimethoxypyrimidin-2-amine.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,6-dimethoxypyrimidin-2-amine?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,6-dimethoxypyrimidin-2-amine is CCc1nn(C)cc1CNc1nc(OC)cc(OC)n1.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,6-dimethoxypyrimidin-2-amine?
The InChIKey is ZEUIVSQLOUBZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-5-10-9(8-18(2)17-10)7-14-13-15-11(19-3)6-12(16-13)20-4/h6,8H,5,7H2,1-4H3,(H,14,15,16).
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,6-dimethoxypyrimidin-2-amine?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,6-dimethoxypyrimidin-2-amine has a molecular weight of 277.33 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,6-dimethoxypyrimidin-2-amine is sourced from PubChem (CID 115990421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).