5-methyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-2-amine

C11H13N3S — CID 63208187

IUPAC5-methyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-2-amine
SMILESCc1cnc(NCc2ccc(C)s2)nc1
InChIInChI=1S/C11H13N3S/c1-8-5-12-11(13-6-8)14-7-10-4-3-9(2)15-10/h3-6H,7H2,1-2H3,(H,12,13,14)
InChIKeyKIMPOIJTIZQDBC-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.77
Rot. Bonds3

About 5-methyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-2-amine

5-methyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-2-amine (PubChem CID 63208187) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 5-methyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-2-amine
PubChem CID63208187
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name5-methyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-2-amine
SMILESCc1cnc(NCc2ccc(C)s2)nc1
InChIInChI=1S/C11H13N3S/c1-8-5-12-11(13-6-8)14-7-10-4-3-9(2)15-10/h3-6H,7H2,1-2H3,(H,12,13,14)
InChIKeyKIMPOIJTIZQDBC-UHFFFAOYSA-N
XLogP2.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 5-methyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-2-amine (CID 63208187) is 5-methyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 5-methyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-2-amine is Cc1cnc(NCc2ccc(C)s2)nc1.
What is the InChIKey of 5-methyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-2-amine?
The InChIKey is KIMPOIJTIZQDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-8-5-12-11(13-6-8)14-7-10-4-3-9(2)15-10/h3-6H,7H2,1-2H3,(H,12,13,14).
What are the key properties of 5-methyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-2-amine?
5-methyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-2-amine has a molecular weight of 219.31 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 63208187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).