5-ethyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,2-dimethylpyrimidin-4-amine

C14H21N5O — CID 50961907

IUPAC5-ethyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,2-dimethylpyrimidin-4-amine
SMILESCCc1cnc(C)nc1N(C)Cc1cc(COC)n[nH]1
InChIInChI=1S/C14H21N5O/c1-5-11-7-15-10(2)16-14(11)19(3)8-12-6-13(9-20-4)18-17-12/h6-7H,5,8-9H2,1-4H3,(H,17,18)
InChIKeyPXVJHTYFNBNUIG-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.85
Rot. Bonds6

About 5-ethyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,2-dimethylpyrimidin-4-amine

5-ethyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,2-dimethylpyrimidin-4-amine (PubChem CID 50961907) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 5-ethyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,2-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,2-dimethylpyrimidin-4-amine
PubChem CID50961907
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name5-ethyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,2-dimethylpyrimidin-4-amine
SMILESCCc1cnc(C)nc1N(C)Cc1cc(COC)n[nH]1
InChIInChI=1S/C14H21N5O/c1-5-11-7-15-10(2)16-14(11)19(3)8-12-6-13(9-20-4)18-17-12/h6-7H,5,8-9H2,1-4H3,(H,17,18)
InChIKeyPXVJHTYFNBNUIG-UHFFFAOYSA-N
XLogP1.85
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,2-dimethylpyrimidin-4-amine?
The IUPAC name of 5-ethyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,2-dimethylpyrimidin-4-amine (CID 50961907) is 5-ethyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,2-dimethylpyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,2-dimethylpyrimidin-4-amine?
The canonical SMILES for 5-ethyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,2-dimethylpyrimidin-4-amine is CCc1cnc(C)nc1N(C)Cc1cc(COC)n[nH]1.
What is the InChIKey of 5-ethyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,2-dimethylpyrimidin-4-amine?
The InChIKey is PXVJHTYFNBNUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-5-11-7-15-10(2)16-14(11)19(3)8-12-6-13(9-20-4)18-17-12/h6-7H,5,8-9H2,1-4H3,(H,17,18).
What are the key properties of 5-ethyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,2-dimethylpyrimidin-4-amine?
5-ethyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,2-dimethylpyrimidin-4-amine has a molecular weight of 275.36 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,2-dimethylpyrimidin-4-amine is sourced from PubChem (CID 50961907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).