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

C12H17N5O — CID 66328422

IUPAC6-ethoxy-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine
SMILESCCOc1cc(Nc2cnn(C(C)C)c2)ncn1
InChIInChI=1S/C12H17N5O/c1-4-18-12-5-11(13-8-14-12)16-10-6-15-17(7-10)9(2)3/h5-9H,4H2,1-3H3,(H,13,14,16)
InChIKeyBHMVWTQKXILOKW-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.40
Rot. Bonds5

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

6-ethoxy-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 66328422) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 6-ethoxy-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID66328422
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name6-ethoxy-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine
SMILESCCOc1cc(Nc2cnn(C(C)C)c2)ncn1
InChIInChI=1S/C12H17N5O/c1-4-18-12-5-11(13-8-14-12)16-10-6-15-17(7-10)9(2)3/h5-9H,4H2,1-3H3,(H,13,14,16)
InChIKeyBHMVWTQKXILOKW-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine (CID 66328422) is 6-ethoxy-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine is CCOc1cc(Nc2cnn(C(C)C)c2)ncn1.
What is the InChIKey of 6-ethoxy-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is BHMVWTQKXILOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-4-18-12-5-11(13-8-14-12)16-10-6-15-17(7-10)9(2)3/h5-9H,4H2,1-3H3,(H,13,14,16).
What are the key properties of 6-ethoxy-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine?
6-ethoxy-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 247.30 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 66328422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).