5,6-dimethyl-4-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-diamine;ethane

C12H20N6S — CID 144538301

IUPAC5,6-dimethyl-4-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-diamine;ethane
SMILESCC.Cc1nnc(CNc2nc(N)nc(C)c2C)s1
InChIInChI=1S/C10H14N6S.C2H6/c1-5-6(2)13-10(11)14-9(5)12-4-8-16-15-7(3)17-8;1-2/h4H2,1-3H3,(H3,11,12,13,14);1-2H3
InChIKeyQICNVZUYZULDJB-UHFFFAOYSA-N
MW280.40 g/mol
LogP2.47
Rot. Bonds3

About 5,6-dimethyl-4-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-diamine;ethane

5,6-dimethyl-4-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-diamine;ethane (PubChem CID 144538301) has the molecular formula C12H20N6S and a molecular weight of 280.40 g/mol. Its IUPAC name is 5,6-dimethyl-4-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-diamine;ethane.

Molecular Properties

Compound Name5,6-dimethyl-4-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-diamine;ethane
PubChem CID144538301
Molecular FormulaC12H20N6S
Molecular Weight280.40 g/mol
Exact Mass280.15
IUPAC Name5,6-dimethyl-4-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-diamine;ethane
SMILESCC.Cc1nnc(CNc2nc(N)nc(C)c2C)s1
InChIInChI=1S/C10H14N6S.C2H6/c1-5-6(2)13-10(11)14-9(5)12-4-8-16-15-7(3)17-8;1-2/h4H2,1-3H3,(H3,11,12,13,14);1-2H3
InChIKeyQICNVZUYZULDJB-UHFFFAOYSA-N
XLogP2.47
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-4-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-diamine;ethane?
The IUPAC name of 5,6-dimethyl-4-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-diamine;ethane (CID 144538301) is 5,6-dimethyl-4-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-diamine;ethane.
What is the SMILES notation for 5,6-dimethyl-4-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-diamine;ethane?
The canonical SMILES for 5,6-dimethyl-4-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-diamine;ethane is CC.Cc1nnc(CNc2nc(N)nc(C)c2C)s1.
What is the InChIKey of 5,6-dimethyl-4-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-diamine;ethane?
The InChIKey is QICNVZUYZULDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6S.C2H6/c1-5-6(2)13-10(11)14-9(5)12-4-8-16-15-7(3)17-8;1-2/h4H2,1-3H3,(H3,11,12,13,14);1-2H3.
What are the key properties of 5,6-dimethyl-4-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-diamine;ethane?
5,6-dimethyl-4-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-diamine;ethane has a molecular weight of 280.40 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-4-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidine-2,4-diamine;ethane is sourced from PubChem (CID 144538301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).