6-ethoxy-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine

C13H19N5O — CID 66325226

IUPAC6-ethoxy-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine
SMILESCCOc1ncnc(Nc2cnn(C(C)C)c2)c1C
InChIInChI=1S/C13H19N5O/c1-5-19-13-10(4)12(14-8-15-13)17-11-6-16-18(7-11)9(2)3/h6-9H,5H2,1-4H3,(H,14,15,17)
InChIKeyCGWLJWMGADUPPF-UHFFFAOYSA-N
MW261.33 g/mol
LogP2.70
Rot. Bonds5

About 6-ethoxy-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine

6-ethoxy-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 66325226) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 6-ethoxy-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID66325226
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name6-ethoxy-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine
SMILESCCOc1ncnc(Nc2cnn(C(C)C)c2)c1C
InChIInChI=1S/C13H19N5O/c1-5-19-13-10(4)12(14-8-15-13)17-11-6-16-18(7-11)9(2)3/h6-9H,5H2,1-4H3,(H,14,15,17)
InChIKeyCGWLJWMGADUPPF-UHFFFAOYSA-N
XLogP2.70
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine (CID 66325226) is 6-ethoxy-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine is CCOc1ncnc(Nc2cnn(C(C)C)c2)c1C.
What is the InChIKey of 6-ethoxy-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is CGWLJWMGADUPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-5-19-13-10(4)12(14-8-15-13)17-11-6-16-18(7-11)9(2)3/h6-9H,5H2,1-4H3,(H,14,15,17).
What are the key properties of 6-ethoxy-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine?
6-ethoxy-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 261.33 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 66325226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).