6-methyl-N-[(2-methylthiolan-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine

C14H23N3S — CID 80527909

IUPAC6-methyl-N-[(2-methylthiolan-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(NCC2(C)CCCS2)nc(C(C)C)n1
InChIInChI=1S/C14H23N3S/c1-10(2)13-16-11(3)8-12(17-13)15-9-14(4)6-5-7-18-14/h8,10H,5-7,9H2,1-4H3,(H,15,16,17)
InChIKeyOQXYXLHACYMAJT-UHFFFAOYSA-N
MW265.43 g/mol
LogP3.61
Rot. Bonds4

About 6-methyl-N-[(2-methylthiolan-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine

6-methyl-N-[(2-methylthiolan-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80527909) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 6-methyl-N-[(2-methylthiolan-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-[(2-methylthiolan-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine
PubChem CID80527909
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name6-methyl-N-[(2-methylthiolan-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(NCC2(C)CCCS2)nc(C(C)C)n1
InChIInChI=1S/C14H23N3S/c1-10(2)13-16-11(3)8-12(17-13)15-9-14(4)6-5-7-18-14/h8,10H,5-7,9H2,1-4H3,(H,15,16,17)
InChIKeyOQXYXLHACYMAJT-UHFFFAOYSA-N
XLogP3.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(2-methylthiolan-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-methyl-N-[(2-methylthiolan-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine (CID 80527909) is 6-methyl-N-[(2-methylthiolan-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-[(2-methylthiolan-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-[(2-methylthiolan-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine is Cc1cc(NCC2(C)CCCS2)nc(C(C)C)n1.
What is the InChIKey of 6-methyl-N-[(2-methylthiolan-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is OQXYXLHACYMAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-10(2)13-16-11(3)8-12(17-13)15-9-14(4)6-5-7-18-14/h8,10H,5-7,9H2,1-4H3,(H,15,16,17).
What are the key properties of 6-methyl-N-[(2-methylthiolan-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine?
6-methyl-N-[(2-methylthiolan-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 265.43 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(2-methylthiolan-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80527909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).