4-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-2H-pyrazino[1,2-a]pyrimidin-9-amine

C16H16N6S — CID 143464772

IUPAC4-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-2H-pyrazino[1,2-a]pyrimidin-9-amine
SMILESCc1csc(NC2=NC=CN3C(c4cnn(C)c4)=CCN=C23)c1
InChIInChI=1S/C16H16N6S/c1-11-7-14(23-10-11)20-15-16-18-4-3-13(22(16)6-5-17-15)12-8-19-21(2)9-12/h3,5-10H,4H2,1-2H3,(H,17,20)
InChIKeyJKXAPKHDHOSIDK-UHFFFAOYSA-N
MW324.41 g/mol
LogP2.84
Rot. Bonds2

About 4-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-2H-pyrazino[1,2-a]pyrimidin-9-amine

4-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-2H-pyrazino[1,2-a]pyrimidin-9-amine (PubChem CID 143464772) has the molecular formula C16H16N6S and a molecular weight of 324.41 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-2H-pyrazino[1,2-a]pyrimidin-9-amine.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-2H-pyrazino[1,2-a]pyrimidin-9-amine
PubChem CID143464772
Molecular FormulaC16H16N6S
Molecular Weight324.41 g/mol
Exact Mass324.12
IUPAC Name4-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-2H-pyrazino[1,2-a]pyrimidin-9-amine
SMILESCc1csc(NC2=NC=CN3C(c4cnn(C)c4)=CCN=C23)c1
InChIInChI=1S/C16H16N6S/c1-11-7-14(23-10-11)20-15-16-18-4-3-13(22(16)6-5-17-15)12-8-19-21(2)9-12/h3,5-10H,4H2,1-2H3,(H,17,20)
InChIKeyJKXAPKHDHOSIDK-UHFFFAOYSA-N
XLogP2.84
TPSA57.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-2H-pyrazino[1,2-a]pyrimidin-9-amine?
The IUPAC name of 4-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-2H-pyrazino[1,2-a]pyrimidin-9-amine (CID 143464772) is 4-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-2H-pyrazino[1,2-a]pyrimidin-9-amine.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-2H-pyrazino[1,2-a]pyrimidin-9-amine?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-2H-pyrazino[1,2-a]pyrimidin-9-amine is Cc1csc(NC2=NC=CN3C(c4cnn(C)c4)=CCN=C23)c1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-2H-pyrazino[1,2-a]pyrimidin-9-amine?
The InChIKey is JKXAPKHDHOSIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6S/c1-11-7-14(23-10-11)20-15-16-18-4-3-13(22(16)6-5-17-15)12-8-19-21(2)9-12/h3,5-10H,4H2,1-2H3,(H,17,20).
What are the key properties of 4-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-2H-pyrazino[1,2-a]pyrimidin-9-amine?
4-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-2H-pyrazino[1,2-a]pyrimidin-9-amine has a molecular weight of 324.41 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-2H-pyrazino[1,2-a]pyrimidin-9-amine is sourced from PubChem (CID 143464772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).