2-[methyl-[4-methyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide

C14H25N7O — CID 156812727

IUPAC2-[methyl-[4-methyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide
SMILESCc1nc(N(C)CC(N)=O)nc(N2CCN(C(C)C)CC2)n1
InChIInChI=1S/C14H25N7O/c1-10(2)20-5-7-21(8-6-20)14-17-11(3)16-13(18-14)19(4)9-12(15)22/h10H,5-9H2,1-4H3,(H2,15,22)
InChIKeyBCKARTRZTGHKPS-UHFFFAOYSA-N
MW307.40 g/mol
LogP-0.37
Rot. Bonds5

About 2-[methyl-[4-methyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide

2-[methyl-[4-methyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide (PubChem CID 156812727) has the molecular formula C14H25N7O and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-[methyl-[4-methyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide.

Molecular Properties

Compound Name2-[methyl-[4-methyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide
PubChem CID156812727
Molecular FormulaC14H25N7O
Molecular Weight307.40 g/mol
Exact Mass307.21
IUPAC Name2-[methyl-[4-methyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide
SMILESCc1nc(N(C)CC(N)=O)nc(N2CCN(C(C)C)CC2)n1
InChIInChI=1S/C14H25N7O/c1-10(2)20-5-7-21(8-6-20)14-17-11(3)16-13(18-14)19(4)9-12(15)22/h10H,5-9H2,1-4H3,(H2,15,22)
InChIKeyBCKARTRZTGHKPS-UHFFFAOYSA-N
XLogP-0.37
TPSA91.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[4-methyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide?
The IUPAC name of 2-[methyl-[4-methyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide (CID 156812727) is 2-[methyl-[4-methyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide.
What is the SMILES notation for 2-[methyl-[4-methyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide?
The canonical SMILES for 2-[methyl-[4-methyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide is Cc1nc(N(C)CC(N)=O)nc(N2CCN(C(C)C)CC2)n1.
What is the InChIKey of 2-[methyl-[4-methyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide?
The InChIKey is BCKARTRZTGHKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N7O/c1-10(2)20-5-7-21(8-6-20)14-17-11(3)16-13(18-14)19(4)9-12(15)22/h10H,5-9H2,1-4H3,(H2,15,22).
What are the key properties of 2-[methyl-[4-methyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide?
2-[methyl-[4-methyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide has a molecular weight of 307.40 g/mol, XLogP of -0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[4-methyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide is sourced from PubChem (CID 156812727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).