2-methyl-N-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine

C17H21N7OS — CID 154604226

IUPAC2-methyl-N-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine
SMILESCSc1cnc(NCC(C)CNc2ccc(-c3nnc(C)o3)cn2)nc1
InChIInChI=1S/C17H21N7OS/c1-11(7-20-17-21-9-14(26-3)10-22-17)6-18-15-5-4-13(8-19-15)16-24-23-12(2)25-16/h4-5,8-11H,6-7H2,1-3H3,(H,18,19)(H,20,21,22)
InChIKeyIVCZYLTXBFLZGU-UHFFFAOYSA-N
MW371.47 g/mol
LogP3.11
Rot. Bonds8

About 2-methyl-N-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine

2-methyl-N-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine (PubChem CID 154604226) has the molecular formula C17H21N7OS and a molecular weight of 371.47 g/mol. Its IUPAC name is 2-methyl-N-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine.

Molecular Properties

Compound Name2-methyl-N-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine
PubChem CID154604226
Molecular FormulaC17H21N7OS
Molecular Weight371.47 g/mol
Exact Mass371.15
IUPAC Name2-methyl-N-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine
SMILESCSc1cnc(NCC(C)CNc2ccc(-c3nnc(C)o3)cn2)nc1
InChIInChI=1S/C17H21N7OS/c1-11(7-20-17-21-9-14(26-3)10-22-17)6-18-15-5-4-13(8-19-15)16-24-23-12(2)25-16/h4-5,8-11H,6-7H2,1-3H3,(H,18,19)(H,20,21,22)
InChIKeyIVCZYLTXBFLZGU-UHFFFAOYSA-N
XLogP3.11
TPSA101.65 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-(2-pyridinyl)-2-[[5-(3-pyridinyl)-1,3,4-oxadiazol-2-yl]thio]acetamide
CID 974453
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N4-propyl-N2-(2-(pyridin-4-yl)ethyl)pyrimidine-2,4-diamine
CID 11530692
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N4-methyl-N2-(2-(pyridin-4-yl)ethyl)pyrimidine-2,4-diamine
CID 44590190
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N4-(2-(methylsulfonyl)ethyl)-N2-(2-(pyridin-4-yl)ethyl)pyrimidine-2,4-diamine
CID 44590192
US11248001, Example 363
CID 154653649
6-[(5-Pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 17562978
5-(5-Benzylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-amine
CID 57397698
2-[[5-(2-benzylsulfanyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4,6-dichloropyrimidin-2-yl)acetamide
CID 71654575
4-N-[(2S)-butan-2-yl]-2-N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-2,4-diamine
CID 178302741
US20260028365, Example 717
CID 170731224
US20260028365, Example 168
CID 175990628
US11248001, Example 316
CID 154653828

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine?
The IUPAC name of 2-methyl-N-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine (CID 154604226) is 2-methyl-N-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine.
What is the SMILES notation for 2-methyl-N-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine?
The canonical SMILES for 2-methyl-N-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine is CSc1cnc(NCC(C)CNc2ccc(-c3nnc(C)o3)cn2)nc1.
What is the InChIKey of 2-methyl-N-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine?
The InChIKey is IVCZYLTXBFLZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7OS/c1-11(7-20-17-21-9-14(26-3)10-22-17)6-18-15-5-4-13(8-19-15)16-24-23-12(2)25-16/h4-5,8-11H,6-7H2,1-3H3,(H,18,19)(H,20,21,22).
What are the key properties of 2-methyl-N-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine?
2-methyl-N-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine has a molecular weight of 371.47 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine is sourced from PubChem (CID 154604226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).