N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-6-methylpyrimidin-4-amine

C14H21N5O — CID 133299000

IUPACN-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-6-methylpyrimidin-4-amine
SMILESCOCCn1nc(C)c(CNc2cc(C)ncn2)c1C
InChIInChI=1S/C14H21N5O/c1-10-7-14(17-9-16-10)15-8-13-11(2)18-19(12(13)3)5-6-20-4/h7,9H,5-6,8H2,1-4H3,(H,15,16,17)
InChIKeyURSHFTLIKXMUBG-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.86
Rot. Bonds6

About N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-6-methylpyrimidin-4-amine

N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-6-methylpyrimidin-4-amine (PubChem CID 133299000) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-6-methylpyrimidin-4-amine
PubChem CID133299000
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC NameN-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-6-methylpyrimidin-4-amine
SMILESCOCCn1nc(C)c(CNc2cc(C)ncn2)c1C
InChIInChI=1S/C14H21N5O/c1-10-7-14(17-9-16-10)15-8-13-11(2)18-19(12(13)3)5-6-20-4/h7,9H,5-6,8H2,1-4H3,(H,15,16,17)
InChIKeyURSHFTLIKXMUBG-UHFFFAOYSA-N
XLogP1.86
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-6-methylpyrimidin-4-amine?
The IUPAC name of N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-6-methylpyrimidin-4-amine (CID 133299000) is N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-6-methylpyrimidin-4-amine is COCCn1nc(C)c(CNc2cc(C)ncn2)c1C.
What is the InChIKey of N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-6-methylpyrimidin-4-amine?
The InChIKey is URSHFTLIKXMUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-10-7-14(17-9-16-10)15-8-13-11(2)18-19(12(13)3)5-6-20-4/h7,9H,5-6,8H2,1-4H3,(H,15,16,17).
What are the key properties of N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-6-methylpyrimidin-4-amine?
N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-6-methylpyrimidin-4-amine has a molecular weight of 275.36 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 133299000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).