N-tert-butyl-2-[methyl-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetamide

C15H24N4O — CID 157030208

IUPACN-tert-butyl-2-[methyl-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetamide
SMILESCc1nc2c(c(N(C)CC(=O)NC(C)(C)C)n1)CCC2
InChIInChI=1S/C15H24N4O/c1-10-16-12-8-6-7-11(12)14(17-10)19(5)9-13(20)18-15(2,3)4/h6-9H2,1-5H3,(H,18,20)
InChIKeyGXDNCPUFCJLWFB-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.62
Rot. Bonds3

About N-tert-butyl-2-[methyl-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetamide

N-tert-butyl-2-[methyl-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetamide (PubChem CID 157030208) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-tert-butyl-2-[methyl-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[methyl-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetamide
PubChem CID157030208
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-tert-butyl-2-[methyl-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetamide
SMILESCc1nc2c(c(N(C)CC(=O)NC(C)(C)C)n1)CCC2
InChIInChI=1S/C15H24N4O/c1-10-16-12-8-6-7-11(12)14(17-10)19(5)9-13(20)18-15(2,3)4/h6-9H2,1-5H3,(H,18,20)
InChIKeyGXDNCPUFCJLWFB-UHFFFAOYSA-N
XLogP1.62
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[methyl-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[methyl-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetamide (CID 157030208) is N-tert-butyl-2-[methyl-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[methyl-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[methyl-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetamide is Cc1nc2c(c(N(C)CC(=O)NC(C)(C)C)n1)CCC2.
What is the InChIKey of N-tert-butyl-2-[methyl-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetamide?
The InChIKey is GXDNCPUFCJLWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-10-16-12-8-6-7-11(12)14(17-10)19(5)9-13(20)18-15(2,3)4/h6-9H2,1-5H3,(H,18,20).
What are the key properties of N-tert-butyl-2-[methyl-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetamide?
N-tert-butyl-2-[methyl-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetamide has a molecular weight of 276.38 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[methyl-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetamide is sourced from PubChem (CID 157030208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).