6-ethoxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine

C12H17N5O — CID 66327674

IUPAC6-ethoxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
SMILESCCOc1ncnc(NCc2cnn(C)c2)c1C
InChIInChI=1S/C12H17N5O/c1-4-18-12-9(2)11(14-8-15-12)13-5-10-6-16-17(3)7-10/h6-8H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyHZDHPEBWOUAURU-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.53
Rot. Bonds5

About 6-ethoxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine

6-ethoxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine (PubChem CID 66327674) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 6-ethoxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
PubChem CID66327674
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name6-ethoxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
SMILESCCOc1ncnc(NCc2cnn(C)c2)c1C
InChIInChI=1S/C12H17N5O/c1-4-18-12-9(2)11(14-8-15-12)13-5-10-6-16-17(3)7-10/h6-8H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyHZDHPEBWOUAURU-UHFFFAOYSA-N
XLogP1.53
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.53
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-methylpyrazol-4-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine (CID 66327674) is 6-ethoxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine is CCOc1ncnc(NCc2cnn(C)c2)c1C.
What is the InChIKey of 6-ethoxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine?
The InChIKey is HZDHPEBWOUAURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-4-18-12-9(2)11(14-8-15-12)13-5-10-6-16-17(3)7-10/h6-8H,4-5H2,1-3H3,(H,13,14,15).
What are the key properties of 6-ethoxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine?
6-ethoxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine has a molecular weight of 247.30 g/mol, XLogP of 1.53, 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-methylpyrazol-4-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 66327674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).