4-(3,5-dimethylpyrazol-1-yl)-N-ethylpyrimidin-2-amine

C11H15N5 — CID 53172435

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-ethylpyrimidin-2-amine
SMILESCCNc1nccc(-n2nc(C)cc2C)n1
InChIInChI=1S/C11H15N5/c1-4-12-11-13-6-5-10(14-11)16-9(3)7-8(2)15-16/h5-7H,4H2,1-3H3,(H,12,13,14)
InChIKeyBXEGTGMSJWBHAQ-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.71
Rot. Bonds3

About 4-(3,5-dimethylpyrazol-1-yl)-N-ethylpyrimidin-2-amine

4-(3,5-dimethylpyrazol-1-yl)-N-ethylpyrimidin-2-amine (PubChem CID 53172435) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-ethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-ethylpyrimidin-2-amine
PubChem CID53172435
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-ethylpyrimidin-2-amine
SMILESCCNc1nccc(-n2nc(C)cc2C)n1
InChIInChI=1S/C11H15N5/c1-4-12-11-13-6-5-10(14-11)16-9(3)7-8(2)15-16/h5-7H,4H2,1-3H3,(H,12,13,14)
InChIKeyBXEGTGMSJWBHAQ-UHFFFAOYSA-N
XLogP1.71
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-ethylpyrimidin-2-amine?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-ethylpyrimidin-2-amine (CID 53172435) is 4-(3,5-dimethylpyrazol-1-yl)-N-ethylpyrimidin-2-amine.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-ethylpyrimidin-2-amine?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-ethylpyrimidin-2-amine is CCNc1nccc(-n2nc(C)cc2C)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-ethylpyrimidin-2-amine?
The InChIKey is BXEGTGMSJWBHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-4-12-11-13-6-5-10(14-11)16-9(3)7-8(2)15-16/h5-7H,4H2,1-3H3,(H,12,13,14).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-ethylpyrimidin-2-amine?
4-(3,5-dimethylpyrazol-1-yl)-N-ethylpyrimidin-2-amine has a molecular weight of 217.28 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-ethylpyrimidin-2-amine is sourced from PubChem (CID 53172435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).