1-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-amine

C9H11N5 — CID 57289097

IUPAC1-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-amine
SMILESCc1cc(C)nc(-n2ccc(N)n2)n1
InChIInChI=1S/C9H11N5/c1-6-5-7(2)12-9(11-6)14-4-3-8(10)13-14/h3-5H,1-2H3,(H2,10,13)
InChIKeyRFYUGIMRTAYCEH-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.86
Rot. Bonds1

About 1-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-amine

1-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-amine (PubChem CID 57289097) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-amine
PubChem CID57289097
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-amine
SMILESCc1cc(C)nc(-n2ccc(N)n2)n1
InChIInChI=1S/C9H11N5/c1-6-5-7(2)12-9(11-6)14-4-3-8(10)13-14/h3-5H,1-2H3,(H2,10,13)
InChIKeyRFYUGIMRTAYCEH-UHFFFAOYSA-N
XLogP0.86
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-amine?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-amine (CID 57289097) is 1-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-amine.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-amine?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-amine is Cc1cc(C)nc(-n2ccc(N)n2)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-amine?
The InChIKey is RFYUGIMRTAYCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-6-5-7(2)12-9(11-6)14-4-3-8(10)13-14/h3-5H,1-2H3,(H2,10,13).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-amine?
1-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-amine has a molecular weight of 189.22 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-amine is sourced from PubChem (CID 57289097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).