4-[4-(ethylamino)pyrazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine

C13H16N8 — CID 151837932

IUPAC4-[4-(ethylamino)pyrazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
SMILESCCNc1cnn(-c2ccnc(Nc3cnn(C)c3)n2)c1
InChIInChI=1S/C13H16N8/c1-3-14-10-6-17-21(9-10)12-4-5-15-13(19-12)18-11-7-16-20(2)8-11/h4-9,14H,3H2,1-2H3,(H,15,18,19)
InChIKeySGAYMMNCCAMKPU-UHFFFAOYSA-N
MW284.33 g/mol
LogP1.57
Rot. Bonds5

About 4-[4-(ethylamino)pyrazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine

4-[4-(ethylamino)pyrazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine (PubChem CID 151837932) has the molecular formula C13H16N8 and a molecular weight of 284.33 g/mol. Its IUPAC name is 4-[4-(ethylamino)pyrazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(ethylamino)pyrazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
PubChem CID151837932
Molecular FormulaC13H16N8
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC Name4-[4-(ethylamino)pyrazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
SMILESCCNc1cnn(-c2ccnc(Nc3cnn(C)c3)n2)c1
InChIInChI=1S/C13H16N8/c1-3-14-10-6-17-21(9-10)12-4-5-15-13(19-12)18-11-7-16-20(2)8-11/h4-9,14H,3H2,1-2H3,(H,15,18,19)
InChIKeySGAYMMNCCAMKPU-UHFFFAOYSA-N
XLogP1.57
TPSA85.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(ethylamino)pyrazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-[4-(ethylamino)pyrazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine (CID 151837932) is 4-[4-(ethylamino)pyrazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-[4-(ethylamino)pyrazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-[4-(ethylamino)pyrazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine is CCNc1cnn(-c2ccnc(Nc3cnn(C)c3)n2)c1.
What is the InChIKey of 4-[4-(ethylamino)pyrazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is SGAYMMNCCAMKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N8/c1-3-14-10-6-17-21(9-10)12-4-5-15-13(19-12)18-11-7-16-20(2)8-11/h4-9,14H,3H2,1-2H3,(H,15,18,19).
What are the key properties of 4-[4-(ethylamino)pyrazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
4-[4-(ethylamino)pyrazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 284.33 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(ethylamino)pyrazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 151837932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).