6-(4-chloropyrazol-1-yl)-2-(methoxymethyl)-N-methylpyrimidin-4-amine

C10H12ClN5O — CID 113401605

IUPAC6-(4-chloropyrazol-1-yl)-2-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(-n2cc(Cl)cn2)nc(COC)n1
InChIInChI=1S/C10H12ClN5O/c1-12-8-3-10(15-9(14-8)6-17-2)16-5-7(11)4-13-16/h3-5H,6H2,1-2H3,(H,12,14,15)
InChIKeyBFVIWWVGTODWNB-UHFFFAOYSA-N
MW253.69 g/mol
LogP1.50
Rot. Bonds4

About 6-(4-chloropyrazol-1-yl)-2-(methoxymethyl)-N-methylpyrimidin-4-amine

6-(4-chloropyrazol-1-yl)-2-(methoxymethyl)-N-methylpyrimidin-4-amine (PubChem CID 113401605) has the molecular formula C10H12ClN5O and a molecular weight of 253.69 g/mol. Its IUPAC name is 6-(4-chloropyrazol-1-yl)-2-(methoxymethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-chloropyrazol-1-yl)-2-(methoxymethyl)-N-methylpyrimidin-4-amine
PubChem CID113401605
Molecular FormulaC10H12ClN5O
Molecular Weight253.69 g/mol
Exact Mass253.07
IUPAC Name6-(4-chloropyrazol-1-yl)-2-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(-n2cc(Cl)cn2)nc(COC)n1
InChIInChI=1S/C10H12ClN5O/c1-12-8-3-10(15-9(14-8)6-17-2)16-5-7(11)4-13-16/h3-5H,6H2,1-2H3,(H,12,14,15)
InChIKeyBFVIWWVGTODWNB-UHFFFAOYSA-N
XLogP1.50
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-chloropyrazol-1-yl)-N,2-dimethylpyrimidin-4-amine
CID 80856995
6-(4-chloropyrazol-1-yl)-N-methylpyrazin-2-amine
CID 80857674
4-(4-chloropyrazol-1-yl)-N,6-dimethylpyrimidin-2-amine
CID 80857762
6-methoxy-2-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 82456558
6-(4-chloropyrazol-1-yl)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80966016
2-(methoxymethyl)-N-methyl-6-propylpyrimidin-4-amine
CID 62191609
[6-(4-chloropyrazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80968945
[6-(4-chloropyrazol-1-yl)-2-cyclopropylpyrimidin-4-yl]hydrazine
CID 80968944
6-(4-chloropyrazol-1-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80965622
4-N-(2-chloro-5-methylphenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine
CID 107638868
6-(2-methoxyethoxy)-2-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 82456721
4-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine
CID 106042397

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloropyrazol-1-yl)-2-(methoxymethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 6-(4-chloropyrazol-1-yl)-2-(methoxymethyl)-N-methylpyrimidin-4-amine (CID 113401605) is 6-(4-chloropyrazol-1-yl)-2-(methoxymethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-chloropyrazol-1-yl)-2-(methoxymethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-(4-chloropyrazol-1-yl)-2-(methoxymethyl)-N-methylpyrimidin-4-amine is CNc1cc(-n2cc(Cl)cn2)nc(COC)n1.
What is the InChIKey of 6-(4-chloropyrazol-1-yl)-2-(methoxymethyl)-N-methylpyrimidin-4-amine?
The InChIKey is BFVIWWVGTODWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5O/c1-12-8-3-10(15-9(14-8)6-17-2)16-5-7(11)4-13-16/h3-5H,6H2,1-2H3,(H,12,14,15).
What are the key properties of 6-(4-chloropyrazol-1-yl)-2-(methoxymethyl)-N-methylpyrimidin-4-amine?
6-(4-chloropyrazol-1-yl)-2-(methoxymethyl)-N-methylpyrimidin-4-amine has a molecular weight of 253.69 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloropyrazol-1-yl)-2-(methoxymethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 113401605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).