N,N-dimethyl-4-(5-methylthiophen-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine

C15H15N5S — CID 95857472

IUPACN,N-dimethyl-4-(5-methylthiophen-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine
SMILESCc1ccc(-c2nc(N(C)C)ncc2-c2cnccn2)s1
InChIInChI=1S/C15H15N5S/c1-10-4-5-13(21-10)14-11(12-9-16-6-7-17-12)8-18-15(19-14)20(2)3/h4-9H,1-3H3
InChIKeyYJNISPZCHILCFW-UHFFFAOYSA-N
MW297.39 g/mol
LogP3.04
Rot. Bonds3

About N,N-dimethyl-4-(5-methylthiophen-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine

N,N-dimethyl-4-(5-methylthiophen-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine (PubChem CID 95857472) has the molecular formula C15H15N5S and a molecular weight of 297.39 g/mol. Its IUPAC name is N,N-dimethyl-4-(5-methylthiophen-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-(5-methylthiophen-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine
PubChem CID95857472
Molecular FormulaC15H15N5S
Molecular Weight297.39 g/mol
Exact Mass297.10
IUPAC NameN,N-dimethyl-4-(5-methylthiophen-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine
SMILESCc1ccc(-c2nc(N(C)C)ncc2-c2cnccn2)s1
InChIInChI=1S/C15H15N5S/c1-10-4-5-13(21-10)14-11(12-9-16-6-7-17-12)8-18-15(19-14)20(2)3/h4-9H,1-3H3
InChIKeyYJNISPZCHILCFW-UHFFFAOYSA-N
XLogP3.04
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(5-methylthiophen-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine?
The IUPAC name of N,N-dimethyl-4-(5-methylthiophen-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine (CID 95857472) is N,N-dimethyl-4-(5-methylthiophen-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine.
What is the SMILES notation for N,N-dimethyl-4-(5-methylthiophen-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine?
The canonical SMILES for N,N-dimethyl-4-(5-methylthiophen-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine is Cc1ccc(-c2nc(N(C)C)ncc2-c2cnccn2)s1.
What is the InChIKey of N,N-dimethyl-4-(5-methylthiophen-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine?
The InChIKey is YJNISPZCHILCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5S/c1-10-4-5-13(21-10)14-11(12-9-16-6-7-17-12)8-18-15(19-14)20(2)3/h4-9H,1-3H3.
What are the key properties of N,N-dimethyl-4-(5-methylthiophen-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine?
N,N-dimethyl-4-(5-methylthiophen-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine has a molecular weight of 297.39 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(5-methylthiophen-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine is sourced from PubChem (CID 95857472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).