5-chloro-2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine

C11H14ClN5O — CID 146091134

IUPAC5-chloro-2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
SMILESCOc1ncc(Cl)c(Nc2c(C)nn(C)c2C)n1
InChIInChI=1S/C11H14ClN5O/c1-6-9(7(2)17(3)16-6)14-10-8(12)5-13-11(15-10)18-4/h5H,1-4H3,(H,13,14,15)
InChIKeyHJVNGGHIQALAMP-UHFFFAOYSA-N
MW267.72 g/mol
LogP2.23
Rot. Bonds3

About 5-chloro-2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine

5-chloro-2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 146091134) has the molecular formula C11H14ClN5O and a molecular weight of 267.72 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID146091134
Molecular FormulaC11H14ClN5O
Molecular Weight267.72 g/mol
Exact Mass267.09
IUPAC Name5-chloro-2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
SMILESCOc1ncc(Cl)c(Nc2c(C)nn(C)c2C)n1
InChIInChI=1S/C11H14ClN5O/c1-6-9(7(2)17(3)16-6)14-10-8(12)5-13-11(15-10)18-4/h5H,1-4H3,(H,13,14,15)
InChIKeyHJVNGGHIQALAMP-UHFFFAOYSA-N
XLogP2.23
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine (CID 146091134) is 5-chloro-2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine is COc1ncc(Cl)c(Nc2c(C)nn(C)c2C)n1.
What is the InChIKey of 5-chloro-2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is HJVNGGHIQALAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5O/c1-6-9(7(2)17(3)16-6)14-10-8(12)5-13-11(15-10)18-4/h5H,1-4H3,(H,13,14,15).
What are the key properties of 5-chloro-2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
5-chloro-2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 267.72 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 146091134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).