1-(6-methoxypyrimidin-4-yl)-3,5-dimethylpyrazol-4-amine

C10H13N5O — CID 66320104

IUPAC1-(6-methoxypyrimidin-4-yl)-3,5-dimethylpyrazol-4-amine
SMILESCOc1cc(-n2nc(C)c(N)c2C)ncn1
InChIInChI=1S/C10H13N5O/c1-6-10(11)7(2)15(14-6)8-4-9(16-3)13-5-12-8/h4-5H,11H2,1-3H3
InChIKeyCPHXYULXIBQUTJ-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.87
Rot. Bonds2

About 1-(6-methoxypyrimidin-4-yl)-3,5-dimethylpyrazol-4-amine

1-(6-methoxypyrimidin-4-yl)-3,5-dimethylpyrazol-4-amine (PubChem CID 66320104) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 1-(6-methoxypyrimidin-4-yl)-3,5-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name1-(6-methoxypyrimidin-4-yl)-3,5-dimethylpyrazol-4-amine
PubChem CID66320104
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name1-(6-methoxypyrimidin-4-yl)-3,5-dimethylpyrazol-4-amine
SMILESCOc1cc(-n2nc(C)c(N)c2C)ncn1
InChIInChI=1S/C10H13N5O/c1-6-10(11)7(2)15(14-6)8-4-9(16-3)13-5-12-8/h4-5H,11H2,1-3H3
InChIKeyCPHXYULXIBQUTJ-UHFFFAOYSA-N
XLogP0.87
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrazol-4-amine
CID 39247652
1-(3,4-dimethoxyphenyl)-3,5-dimethylpyrazol-4-amine
CID 39349758
4-chloro-6-(4-methoxy-3,5-dimethylpyrazol-1-yl)pyrimidine
CID 134440068
3,5-dimethyl-1-(2-methylpyrimidin-4-yl)pyrazol-4-amine
CID 62771650
7-(4-amino-3,5-dimethylpyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66283709
3,5-dimethyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrazol-4-amine
CID 61175835
3,5-dimethyl-1-(5-methyl-3-pyridinyl)pyrazol-4-amine
CID 115375116
1-(6-methoxyisoquinolin-1-yl)-3,5-dimethylpyrazol-4-amine
CID 106541702
O-(6-methoxypyrimidin-4-yl)hydroxylamine
CID 79421362
ethane;6-methoxypyrimidin-4-amine;molecular hydrogen
CID 164548833
5-amino-3-methyl-1-(6-methylpyrimidin-4-yl)pyrazole-4-thiol
CID 39096567
3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazol-4-amine
CID 61176031

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyrimidin-4-yl)-3,5-dimethylpyrazol-4-amine?
The IUPAC name of 1-(6-methoxypyrimidin-4-yl)-3,5-dimethylpyrazol-4-amine (CID 66320104) is 1-(6-methoxypyrimidin-4-yl)-3,5-dimethylpyrazol-4-amine.
What is the SMILES notation for 1-(6-methoxypyrimidin-4-yl)-3,5-dimethylpyrazol-4-amine?
The canonical SMILES for 1-(6-methoxypyrimidin-4-yl)-3,5-dimethylpyrazol-4-amine is COc1cc(-n2nc(C)c(N)c2C)ncn1.
What is the InChIKey of 1-(6-methoxypyrimidin-4-yl)-3,5-dimethylpyrazol-4-amine?
The InChIKey is CPHXYULXIBQUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-6-10(11)7(2)15(14-6)8-4-9(16-3)13-5-12-8/h4-5H,11H2,1-3H3.
What are the key properties of 1-(6-methoxypyrimidin-4-yl)-3,5-dimethylpyrazol-4-amine?
1-(6-methoxypyrimidin-4-yl)-3,5-dimethylpyrazol-4-amine has a molecular weight of 219.25 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxypyrimidin-4-yl)-3,5-dimethylpyrazol-4-amine is sourced from PubChem (CID 66320104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).