2,5-dimethyl-4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine

C12H20N4S — CID 80851915

IUPAC2,5-dimethyl-4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCc1nc(N)c(C)c(NCC2CCCCS2)n1
InChIInChI=1S/C12H20N4S/c1-8-11(13)15-9(2)16-12(8)14-7-10-5-3-4-6-17-10/h10H,3-7H2,1-2H3,(H3,13,14,15,16)
InChIKeyGUMYSPZUNRIXBL-UHFFFAOYSA-N
MW252.39 g/mol
LogP2.37
Rot. Bonds3

About 2,5-dimethyl-4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine

2,5-dimethyl-4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80851915) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is 2,5-dimethyl-4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2,5-dimethyl-4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80851915
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC Name2,5-dimethyl-4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCc1nc(N)c(C)c(NCC2CCCCS2)n1
InChIInChI=1S/C12H20N4S/c1-8-11(13)15-9(2)16-12(8)14-7-10-5-3-4-6-17-10/h10H,3-7H2,1-2H3,(H3,13,14,15,16)
InChIKeyGUMYSPZUNRIXBL-UHFFFAOYSA-N
XLogP2.37
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2,5-dimethyl-4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine (CID 80851915) is 2,5-dimethyl-4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2,5-dimethyl-4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2,5-dimethyl-4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine is Cc1nc(N)c(C)c(NCC2CCCCS2)n1.
What is the InChIKey of 2,5-dimethyl-4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is GUMYSPZUNRIXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-8-11(13)15-9(2)16-12(8)14-7-10-5-3-4-6-17-10/h10H,3-7H2,1-2H3,(H3,13,14,15,16).
What are the key properties of 2,5-dimethyl-4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine?
2,5-dimethyl-4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 252.39 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80851915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).