5-chloro-N-ethyl-4-(1-ethylpyrazol-4-yl)oxypyrimidin-2-amine

C11H14ClN5O — CID 116806063

IUPAC5-chloro-N-ethyl-4-(1-ethylpyrazol-4-yl)oxypyrimidin-2-amine
SMILESCCNc1ncc(Cl)c(Oc2cnn(CC)c2)n1
InChIInChI=1S/C11H14ClN5O/c1-3-13-11-14-6-9(12)10(16-11)18-8-5-15-17(4-2)7-8/h5-7H,3-4H2,1-2H3,(H,13,14,16)
InChIKeyIKOJRIWTCHSFHT-UHFFFAOYSA-N
MW267.72 g/mol
LogP2.57
Rot. Bonds5

About 5-chloro-N-ethyl-4-(1-ethylpyrazol-4-yl)oxypyrimidin-2-amine

5-chloro-N-ethyl-4-(1-ethylpyrazol-4-yl)oxypyrimidin-2-amine (PubChem CID 116806063) has the molecular formula C11H14ClN5O and a molecular weight of 267.72 g/mol. Its IUPAC name is 5-chloro-N-ethyl-4-(1-ethylpyrazol-4-yl)oxypyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-ethyl-4-(1-ethylpyrazol-4-yl)oxypyrimidin-2-amine
PubChem CID116806063
Molecular FormulaC11H14ClN5O
Molecular Weight267.72 g/mol
Exact Mass267.09
IUPAC Name5-chloro-N-ethyl-4-(1-ethylpyrazol-4-yl)oxypyrimidin-2-amine
SMILESCCNc1ncc(Cl)c(Oc2cnn(CC)c2)n1
InChIInChI=1S/C11H14ClN5O/c1-3-13-11-14-6-9(12)10(16-11)18-8-5-15-17(4-2)7-8/h5-7H,3-4H2,1-2H3,(H,13,14,16)
InChIKeyIKOJRIWTCHSFHT-UHFFFAOYSA-N
XLogP2.57
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1-ethylpyrazol-4-yl)oxy-5-methyl-N-propylpyrimidin-2-amine
CID 116806089
5-chloro-N-ethyl-4-(4-propan-2-ylphenoxy)pyrimidin-2-amine
CID 80863200
3,5-dichloro-N-ethyl-6-(1-propylpyrazol-4-yl)oxypyridin-2-amine
CID 102761179
5-chloro-N-ethyl-4-(2-methylphenoxy)pyrimidin-2-amine
CID 80869054
5-chloro-4-(2,4-dichlorophenoxy)-N-ethylpyrimidin-2-amine
CID 80869450
1-[5-chloro-2-(1-ethylpyrazol-4-yl)oxy-4-pyridinyl]-N-methylmethanamine
CID 114929109
N-ethyl-4-(1-ethylpyrazol-4-yl)oxy-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 116806108
5-chloro-N-ethyl-4-quinolin-5-yloxypyrimidin-2-amine
CID 103046129
2-chloro-6-(1-ethylpyrazol-4-yl)oxypyrazine
CID 116801023
5-chloro-N-ethyl-4-(3-nitrophenoxy)pyrimidin-2-amine
CID 80871947
4-chloro-6-(1-ethylpyrazol-4-yl)oxypyrimidin-5-amine
CID 116800284
[4-(1-ethylpyrazol-4-yl)oxyquinazolin-2-yl]hydrazine
CID 116806830

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-4-(1-ethylpyrazol-4-yl)oxypyrimidin-2-amine?
The IUPAC name of 5-chloro-N-ethyl-4-(1-ethylpyrazol-4-yl)oxypyrimidin-2-amine (CID 116806063) is 5-chloro-N-ethyl-4-(1-ethylpyrazol-4-yl)oxypyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-ethyl-4-(1-ethylpyrazol-4-yl)oxypyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-ethyl-4-(1-ethylpyrazol-4-yl)oxypyrimidin-2-amine is CCNc1ncc(Cl)c(Oc2cnn(CC)c2)n1.
What is the InChIKey of 5-chloro-N-ethyl-4-(1-ethylpyrazol-4-yl)oxypyrimidin-2-amine?
The InChIKey is IKOJRIWTCHSFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5O/c1-3-13-11-14-6-9(12)10(16-11)18-8-5-15-17(4-2)7-8/h5-7H,3-4H2,1-2H3,(H,13,14,16).
What are the key properties of 5-chloro-N-ethyl-4-(1-ethylpyrazol-4-yl)oxypyrimidin-2-amine?
5-chloro-N-ethyl-4-(1-ethylpyrazol-4-yl)oxypyrimidin-2-amine has a molecular weight of 267.72 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-4-(1-ethylpyrazol-4-yl)oxypyrimidin-2-amine is sourced from PubChem (CID 116806063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).